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

HCID 1027
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Basic information

CAS
145-13-1
Standard SMILES
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChIKey
ORNBQBCIOKFOEO-UHFFFAOYSA-N
Molecular formula
C21H32O2
Average molar mass
316.5 g/mol
Monoisotopic mass
316.24023026

Names & identifiers

Preferred name
Pregn-5-en-20-one, 3beta-hydroxy-
IUPAC
1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Names & synonyms

F3161-00351-{7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one.DELTA.5-Pregnenolone5-Pregnen-3.beta.-ol-20-oneNSC-1616Pregn-5-en-20-one, 3-hydroxy-NSC-18158s1914Pregn-5-en-20-one, 3.beta.-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanonePregnenolone (racemic)Pregnenolone [M+H]+
Show more names
SCHEMBL9926759HMS5080P03SMSSF-00540753|A-Hydroxy-pregn-5-ene-20-oneLCA57454NSC181583|?-Hydroxy-pregn-5-ene-20-oneEBC-11071

Database identifiers

CAS
145-13-1
PubChem CID
1027

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
23

Related reactions

4 records
New reaction record

Compound notes

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