16-Dehydropregnenolone oxime

CAS

1045-71-2

Catalog Number

ACM1045712

Category

Steroidal Compounds

Molecular Weight

329.48

Molecular Formula

C₂₁H₃₁NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

16-Dehydropregnenolone oxime, D5125_SIGMA, 5,16-Pregnadien-3|A-ol-20-one oxime, 5,16-Pregnadien-3beta-ol-20-one oxime, 3|A-Hydroxy-5,16-pregnadien-20-one oxime, 3beta-Hydroxy-5,16-pregnadien-20-one oxime, 1045-71-2

IUPAC Name

(3S,8R,9S,10R,13S,14S)-17-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Canonical SMILES

CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChI Key

PUAYLIXQYVQBPE-MZFALXGWSA-N

Boiling Point

489.3ºC at 760 mmHg

Flash Point

325.2ºC

Density

1.24 g/cm³

Exact Mass

329.23500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 16-Dehydropregnenolone oxime?

The molecular formula of 16-Dehydropregnenolone oxime is C21H31NO2.

What are the synonyms for 16-Dehydropregnenolone oxime?

The synonyms for 16-Dehydropregnenolone oxime are (3beta,20Z)-20-(Hydroxyimino)pregna-5,16-dien-3-ol, 1045-71-2, and (3S,8R,9S,10R,13S,14S)-17-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the molecular weight of 16-Dehydropregnenolone oxime?

The molecular weight of 16-Dehydropregnenolone oxime is 329.5 g/mol.

When was 16-Dehydropregnenolone oxime created and modified?

16-Dehydropregnenolone oxime was created on July 16, 2007, and modified on December 2, 2023.

What is the IUPAC name of 16-Dehydropregnenolone oxime?

The IUPAC name of 16-Dehydropregnenolone oxime is (3S,8R,9S,10R,13S,14S)-17-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the InChI of 16-Dehydropregnenolone oxime?

The InChI of 16-Dehydropregnenolone oxime is InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23-24H,5,7-12H2,1-3H3/b22-13-/t15-,16-,18-,19-,20-,21+/m0/s1.

What is the InChIKey of 16-Dehydropregnenolone oxime?

The InChIKey of 16-Dehydropregnenolone oxime is PUAYLIXQYVQBPE-MZFALXGWSA-N.

What is the Canonical SMILES of 16-Dehydropregnenolone oxime?

The Canonical SMILES of 16-Dehydropregnenolone oxime is CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C).

What is the Isomeric SMILES of 16-Dehydropregnenolone oxime?

The Isomeric SMILES of 16-Dehydropregnenolone oxime is C/C(=N/O)/C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C).

What is the CAS number of 16-Dehydropregnenolone oxime?

The CAS number of 16-Dehydropregnenolone oxime is 23549-27-1.