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    Chemistry

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    Also known as: 472-11-7, Bxi92r2vuj, Chebi:8913, Spirost-5-ene-1,3-diol, (1b,3b,25r)-, (1beta,3beta,25r)-spirost-5-ene-1,3-diol, (25r)-spirost-5-en-1beta,3beta-diol
    Molecular Formula
    C27H42O4
    Molecular Weight
    430.6  g/mol
    InChI Key
    QMQIQBOGXYYATH-IDABPMKMSA-N
    FDA UNII
    BXI92R2VUJ
    Ruscogenin
    ruscogenin is a natural product found in Sansevieria ehrenbergii, Cordyline rubra, and other organisms with data available.
    1 2D Structure

    Ruscogenin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
    2.1.2 InChI
    InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
    2.1.3 InChI Key
    QMQIQBOGXYYATH-IDABPMKMSA-N
    2.1.4 Canonical SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C)OC1
    2.1.5 Isomeric SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1
    2.2 Other Identifiers
    2.2.1 UNII
    BXI92R2VUJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ruscogenin, (1beta,3alpha,25r)-isomer

    2. Ruscogenin, (1beta,3alpha,25s)-isomer

    3. Ruscorectal

    2.3.2 Depositor-Supplied Synonyms

    1. 472-11-7

    2. Bxi92r2vuj

    3. Chebi:8913

    4. Spirost-5-ene-1,3-diol, (1b,3b,25r)-

    5. (1beta,3beta,25r)-spirost-5-ene-1,3-diol

    6. (25r)-spirost-5-en-1beta,3beta-diol

    7. Unii-bxi92r2vuj

    8. Ruscogenins

    9. Ruscorectal (tn)

    10. Einecs 207-447-2

    11. (25r)-spirost-5-ene-1beta,3beta-diol

    12. Ruscogenin [inci]

    13. Ruscogenin [mart.]

    14. Ruscogenin [who-dd]

    15. Schembl147884

    16. Spirost-5-ene-1,3-diol, (1.beta.,3.beta.,25r)-

    17. Chembl1169820

    18. Ruscogenin, >=98% (hplc)

    19. Dtxsid401019319

    20. Hy-n0496

    21. Zinc8234225

    22. Lmst01080038

    23. Mfcd00210550

    24. Ccg-269015

    25. Ac-34398

    26. Cs-0009017

    27. N2405

    28. S9183

    29. C08909

    30. D08498

    31. Q-201689

    32. (25r)-spirost-5-ene-1.beta.,3.beta.-diol

    33. Q27108184

    34. Spirost-5-ene-1.beta.,3.beta.-diol, (25r)-

    35. (1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,14r,16r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 430.6 g/mol
    Molecular Formula C27H42O4
    XLogP34.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass430.30830982 g/mol
    Monoisotopic Mass430.30830982 g/mol
    Topological Polar Surface Area58.9 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity779
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    API Reference Price

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    [{"dataSource":"API Export","activeIngredients":"RUSCOGENIN","year":"2021","qtr":"Q2","strtotime":1617388200,"product":"RUSCOGENIN (BATCH NO. 40903203001)","address":"4,EMPIRE ESTATE,MEHRAULIGURGAON ROAD,SULTANPUR","city":"NEW DELHI","supplier":"LEPRO HERBALS PVT ","supplierCountry":"INDIA","foreign_port":"BASLE","customer":"BUYER","customerCountry":"SWITZERLAND","quantity":"15.00","actualQuantity":"15","unit":"KGS","unitRateFc":"2000","totalValueFC":"33835.2","currency":"EUR","unitRateINR":167933.33333333334,"date":"03-Apr-2021","totalValueINR":"2519000","totalValueInUsd":"33835.2","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"9875082","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"DELHI AIR","supplierAddress":"4,EMPIRE ESTATE,MEHRAULIGURGAON ROAD,SULTANPUR, NEW DELHI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2021","qtr":"Q3","strtotime":1626114600,"product":"RUSCOGENIN (BATCH NO. 40903206003)","address":"4,EMPIRE ESTATE,MEHRAULIGURGAON ROAD,SULTANPUR","city":"NEW DELHI","supplier":"LEPRO HERBALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"HONG KONG","customer":"BUYER","customerCountry":"HONG KONG","quantity":"20.00","actualQuantity":"20","unit":"KGS","unitRateFc":"2488.9","totalValueFC":"48123.5","currency":"USD","unitRateINR":179324.29999999999,"date":"13-Jul-2021","totalValueINR":"3586486","totalValueInUsd":"48123.5","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"3093728","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"HONG KONG","selfForZScoreResived":"Pharma Grade","supplierPort":"DELHI AIR","supplierAddress":"4,EMPIRE ESTATE,MEHRAULIGURGAON ROAD,SULTANPUR, NEW DELHI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2021","qtr":"Q3","strtotime":1631125800,"product":"RUSCOGENIN (BATCH NO. 40903207004)","address":"4,EMPIRE ESTATE,MEHRAULIGURGAON ROAD,SULTANPUR","city":"NEW DELHI","supplier":"LEPRO HERBALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"HONG KONG","customer":"BUYER","customerCountry":"HONG KONG","quantity":"20.00","actualQuantity":"20","unit":"KGS","unitRateFc":"2450","totalValueFC":"47854.4","currency":"USD","unitRateINR":176000,"date":"09-Sep-2021","totalValueINR":"3520000","totalValueInUsd":"47854.4","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"4477173","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"HONG KONG","selfForZScoreResived":"Pharma Grade","supplierPort":"DELHI AIR","supplierAddress":"4,EMPIRE ESTATE,MEHRAULIGURGAON ROAD,SULTANPUR, NEW DELHI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1645641000,"product":"RUSCOGENIN (BATCH NO. 40903301001)","address":"UNIT NO. 311, 313,315 AND 317 EMPI R,PLAZA MEHRAULI GURGAON ROAD","city":"SULTANPUR NEW DELHI,DELHI","supplier":"LEPRO HERBALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"BASLE","customer":"BUYER","customerCountry":"SWITZERLAND","quantity":"10.00","actualQuantity":"10","unit":"KGS","unitRateFc":"2000","totalValueFC":"22159.4","currency":"EUR","unitRateINR":166100,"date":"24-Feb-2022","totalValueINR":"1661000","totalValueInUsd":"22159.4","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"8479232","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"DELHI AIR","supplierAddress":"UNIT NO. 311, 313,315 AND 317 EMPI R,PLAZA MEHRAULI GURGAON ROAD, SULTANPUR NEW DELHI,DELHI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q3","strtotime":1659378600,"product":"RUSCOGENIN (BATCH NO. 40903302002)","address":"UNIT NO. 311, 313,315 AND 317 EMPI R,PLAZA MEHRAULI GURGAON ROAD","city":"SULTANPUR NEW DELHI,DELHI","supplier":"LEPRO HERBALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"HONG KONG","customer":"BUYER","customerCountry":"HONG KONG","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"2200","totalValueFC":"10770.8","currency":"USD","unitRateINR":171400,"date":"02-Aug-2022","totalValueINR":"857000","totalValueInUsd":"10770.8","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"3247076","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"HONG KONG","selfForZScoreResived":"Pharma Grade","supplierPort":"DELHI AIR","supplierAddress":"UNIT NO. 311, 313,315 AND 317 EMPI R,PLAZA MEHRAULI GURGAON ROAD, SULTANPUR NEW DELHI,DELHI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q4","strtotime":1670265000,"product":"RUSCOGENIN (BATCH NO. 40903311003)","address":"UNIT NO. 311, 313,315 AND 317 EMPI R,PLAZA MEHRAULI GURGAON ROAD","city":"SULTANPUR NEW DELHI,DELHI","supplier":"LEPRO HERBALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"BASLE","customer":"BUYER","customerCountry":"SWITZERLAND","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"2000","totalValueFC":"9926.4","currency":"EUR","unitRateINR":163600,"date":"06-Dec-2022","totalValueINR":"818000","totalValueInUsd":"9926.4","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"5968979","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"DELHI AIR","supplierAddress":"UNIT NO. 311, 313,315 AND 317 EMPI R,PLAZA MEHRAULI GURGAON ROAD, SULTANPUR NEW DELHI,DELHI","customerAddress":""}]
    03-Apr-2021
    06-Dec-2022
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