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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

API Reference Price

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Export","activeIngredients":"RUSCOGENIN","year":"2021","qtr":"Q2","strtotime":1621449000,"product":"RUSCOGENIN (BATCH NO. 40903204002)","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":"48601.1","currency":"USD","unitRateINR":178000,"date":"20-May-2021","totalValueINR":"3560000","totalValueInUsd":"48601.1","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"1885277","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":1642185000,"product":"RUSCOGENIN (BATCH NO. 40903212006)","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":"20.00","actualQuantity":"20","unit":"KGS","unitRateFc":"2000","totalValueFC":"44138.1","currency":"EUR","unitRateINR":164400,"date":"15-Jan-2022","totalValueINR":"3288000","totalValueInUsd":"44138.1","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"7494636","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":"Q1","strtotime":1646505000,"product":"RUSCOGENIN (BATCH NO. 40903204008)","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":"26.50","actualQuantity":"26.5","unit":"KGS","unitRateFc":"2200","totalValueFC":"57058.9","currency":"USD","unitRateINR":164113.20754716982,"date":"06-Mar-2022","totalValueINR":"4349000","totalValueInUsd":"57058.9","indian_port":"DELHI AIR","hs_no":"29329990","bill_no":"8731618","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":"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":"2024","qtr":"Q1","strtotime":1710354600,"product":"(BATCH NO. 40903501001, MFG : 30-01-2024, EXP : 29-01-2029) : RUSCOGENIN","address":"4,EMPIRE ESTATE,MEHRAULI","city":"NEW DELHI","supplier":"LEPRO HERBALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"BASLE","customer":"BUYER","customerCountry":"SWITZERLAND","quantity":"20.00","actualQuantity":"20","unit":"KGS","unitRateFc":"2000","totalValueFC":"42520.7","currency":"EUR","unitRateINR":176536.79999999999,"date":"14-Mar-2024","totalValueINR":"3530736","totalValueInUsd":"42520.7","indian_port":"Delhi Air","hs_no":"29329990","bill_no":"8323277","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"Delhi Air","supplierAddress":"4,EMPIRE ESTATE,MEHRAULI, NEW DELHI","customerAddress":""}]
11-Apr-2021
14-Mar-2024
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