5beta-Pregn-3-en-20-one

HCID 70618436
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
AMNWULQVHOJWMK-QGVNFLHTSA-N
Molecular formula
C21H32O
Average molar mass
300.5 g/mol

Names & identifiers

Preferred name
5beta-Pregn-3-en-20-one
IUPAC
1-[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Names & synonyms

5beta-pregn-3-en-20-oneSCHEMBL11598604AMNWULQVHOJWMK-QGVNFLHTSA-N

Database identifiers

PubChem CID
70618436

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
22

Related reactions

1 records
New reaction record

Linked notes

Loading…