3beta-Benzoyloxy-5alpha-cholest-8(14)-ene-7,15-dione

HCID 67640468
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Basic information

Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3C(=O)C[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
SRBSJSVHCDUPHP-LYBSOTFYSA-N
Molecular formula
C34H46O4
Average molar mass
518.7 g/mol

Names & identifiers

Preferred name
3beta-Benzoyloxy-5alpha-cholest-8(14)-ene-7,15-dione
IUPAC
[(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7,15-dioxo-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Names & synonyms

SCHEMBL8610730SRBSJSVHCDUPHP-LYBSOTFYSA-N3beta-Benzoyloxy-5alpha-cholest-8(14)-ene-7,15-dione

Database identifiers

PubChem CID
67640468

Properties

Computed structural properties

XLogP
8.4
Topological polar surface area
60.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
38

Related reactions

2 records
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Compound notes

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