5beta-Cholane-3alpha,12alpha,24-triol

HCID 5284062
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Basic information

Standard SMILES
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
RPHJWYNFTCSHCD-GOZZBPKESA-N
Molecular formula
C24H42O3
Average molar mass
378.6 g/mol
Monoisotopic mass
378.3133952

Names & identifiers

Preferred name
5beta-Cholane-3alpha,12alpha,24-triol
IUPAC
(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Names & synonyms

5beta-Cholane-3alpha,12alpha,24-triolLMST04010314SCHEMBL9323398RPHJWYNFTCSHCD-GOZZBPKESA-N3alpha,12alpha,24-trihydroxy-5beta-cholane

Database identifiers

PubChem CID
5284062
Nikkaji
J496.502G

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
27

Related reactions

1 records
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Compound notes

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