-beta-Cholestane-4-alpha,5-diol
IUPAC: (4R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,5-diol
Plain text
Chemfused. (2026). -beta-Cholestane-4-alpha,5-diol. Retrieved 2026-04-28 from https://chemfused.com/compound/110999
BibTeX
@misc{chemfused-compound-110999,
title = {-beta-Cholestane-4-alpha,5-diol},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/compound/110999},
urldate = {2026-04-28}
}
-beta-Cholestane-4-alpha,5-diol is a chemical compound with molecular formula C27H48O2 and molecular weight 404.7 g/mol .
What is -beta-Cholestane-4-alpha,5-diol?
- Molecular Formula
- C27H48O2
- Molecular Weight
- 404.70 g/mol
Structure Identifiers
- SMILES
- C[C@H](CCCC(C)C)C1CCC2C1(CCC3C2CCC4(C3(CCC[C@H]4O)C)O)C
- InChI
- InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20?,21?,22?,23?,24-,25?,26?,27?/m1/s1
- InChIKey
- XHJMYRAEGCTDKQ-YAZUNAQPSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 404.3654 Da
- XLogP
- 7.90
- TPSA
- 40.5 Ų
- H-Bond Donors
- 2
- H-Bond Acceptors
- 2
- Complexity
- 587
- Formal Charge
- 0
Safety information
No safety data available for this chemical.
Synonyms (3)
- SCHEMBL16225900
- -BETA-CHOLESTANE-4-ALPHA,5-DIOL
- 5-BETA-CHOLESTANE-4-BETA,5-DIOL
Frequently asked questions
What is the IUPAC name of -beta-Cholestane-4-alpha,5-diol?
The IUPAC name of -beta-Cholestane-4-alpha,5-diol is (4R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,5-diol.
What is the molecular formula of -beta-Cholestane-4-alpha,5-diol?
-beta-Cholestane-4-alpha,5-diol has the molecular formula C27H48O2 and a molecular weight of 404.7 g/mol.
What is the SMILES notation for -beta-Cholestane-4-alpha,5-diol?
The SMILES notation for -beta-Cholestane-4-alpha,5-diol is C[C@H](CCCC(C)C)C1CCC2C1(CCC3C2CCC4(C3(CCC[C@H]4O)C)O)C.
What are other names for -beta-Cholestane-4-alpha,5-diol?
-beta-Cholestane-4-alpha,5-diol is also known as -BETA-CHOLESTANE-4-ALPHA,5-DIOL, 5-BETA-CHOLESTANE-4-BETA,5-DIOL, SCHEMBL16225900.
Data sourced from PubChem CID 45044312. Last updated .
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