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Home > Product > Heterocyclic Organic Compounds > 5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile

5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile | CAS Number: 1434-54-4

Catalog Number
AFI1434544
Product Name
5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile
Structure
CAS Number
1434-54-4
IUPAC Name
(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
Synonyms
Pregnenolone-16alpha-carbonitrile; (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile; 3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile; PREGNENOLONE
Molecular Weight
341.49
Exact Mass
341.23500
Molecular Formula
C22H31NO2
Boiling Point
508.5ºC at 760mmHg
Flash Point
261.3ºC
Density
1.13g/cm3
Purity
96%
SMILES
CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C#N
InChIKey
VSBHRRMYCDQLJF-ZDNYCOCVSA-N
H-Bond Donor
1
H-Bond Acceptor
3
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