acetic acid;(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

HCID 131710941
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)O.CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
DSUODLUHWINJIG-GSHVHHBMSA-N
Molecular formula
C24H34O5
Average molar mass
402.5 g/mol
Monoisotopic mass
402.24062418

Names & identifiers

Preferred name
acetic acid;(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC
acetic acid;(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

SCHEMBL25192781DSUODLUHWINJIG-GSHVHHBMSA-N

Database identifiers

PubChem CID
131710941

Properties

Computed structural properties

Topological polar surface area
91.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
29

Related reactions

1 records
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Linked notes

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