5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile

CAS
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CAS
1434-54-4
Size
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Purity
96%
Price
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Catalog Number

ACM1434544

Product Name

5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile

Structure

CAS

1434-54-4

Category

Heterocyclic Organic Compound

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

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

Molecular Weight

341.49

Molecular Formula

C₂₂H₃₁NO₂

Canonical SMILES

CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C#N

InChI Key

VSBHRRMYCDQLJF-ZDNYCOCVSA-N

Boiling Point

508.5ºC at 760mmHg

Flash Point

261.3ºC