4,6-Cholestandien-1alpha,3beta-diol

HCID 22815744
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
InChIKey
TUUMRVMGARUGEB-AFWJMSMISA-N
Molecular formula
C27H44O2
Average molar mass
400.6 g/mol

Names & identifiers

Preferred name
4,6-Cholestandien-1alpha,3beta-diol
IUPAC
(1S,3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Names & synonyms

SCHEMBL11337157TUUMRVMGARUGEB-AFWJMSMISA-N4,6-Cholestandien-1alpha,3beta-diol

Database identifiers

PubChem CID
22815744

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

Loading…