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Chemistry

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Also known as: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] benzoate, Cholesterylbenzoate, 5-cholesten-3.beta.-ol benzoate, Mfcd00003635, Cholest-5-en-3-ol (3.beta.)-, benzoate, Chemdiv1_019249
Molecular Formula
C34H50O2
Molecular Weight
490.8  g/mol
InChI Key
UVZUFUGNHDDLRQ-UHFFFAOYSA-N

Cholesteryl Benzoate
1 2D Structure

Cholesteryl Benzoate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
2.1.2 InChI
InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3
2.1.3 InChI Key
UVZUFUGNHDDLRQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] Benzoate

2. Cholesterylbenzoate

3. 5-cholesten-3.beta.-ol Benzoate

4. Mfcd00003635

5. Cholest-5-en-3-ol (3.beta.)-, Benzoate

6. Chemdiv1_019249

7. Schembl12290962

8. Hms641k21

9. Dtxsid30862274

10. Sy059916

11. Ft-0623756

12. Sr-01000391777

13. Sr-01000391777-1

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 490.8 g/mol
Molecular Formula C34H50O2
XLogP310.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass490.381080833 g/mol
Monoisotopic Mass490.381080833 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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[{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1724005800,"product":"C75802-CONF CHOLESTERYL BENZOATE 98%","address":"PLOT.NO.12,BOMMASANDRA-JIGANI LINK","city":"BANGALORE","supplier":"MERCK GROUP","supplierCountry":"UNITED STATES","foreign_port":"CHICAGO, IL","customer":"SIGMA ALDRICH CHEMICALS PRIVATE LIMITED","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1000","unit":"GMS","unitRateFc":"49.6","totalValueFC":"736.1","currency":"INR","unitRateINR":"61.7","date":"19-Aug-2024","totalValueINR":"61745.91","totalValueInUsd":"736.1","indian_port":"Bangalore Air","hs_no":"29163990","bill_no":"5124923","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"CHICAGO, IL","supplierAddress":"6000N TEUTONIA AVE MILWAUKEE WI 53209SDNF United States","customerAddress":"PLOT.NO.12,BOMMASANDRA-JIGANI LINK"}]
19-Aug-2024
19-Aug-2024
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