Pregnenolone-16-ene acetate oxime

CAS

2174-13-2

Catalog Number

ACM2174132

Category

Steroidal Compounds

Molecular Weight

371.51

Molecular Formula

C₂₃H₃₃NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

16-dehydropregnenoloneacetateoxime*crystalline;3-Hydroxy-20-oximinopregna-5,16-dien-20-one3-acetate;16-DEHYDROPREGNENOLONE ACETATE OXIME;3-BETA-HYDROXY-5,16-PREGNADIEN-20-ONE ACETATE OXIME;5,16-PREGNADIEN-3-BETA-OL-20-ONE ACETATE, 20-OXIME;5,16-PREGNADIE

IUPAC Name

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

Canonical SMILES

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

InChI Key

OVKSHCIVDWZSJD-PYABZAOMSA-N

Boiling Point

495ºC at 760mmHg

Flash Point

253.2ºC

Density

1.23g/cm³

EC Number

218-530-8

Exact Mass

371.24600

What is the molecular formula of Pregnenolone-16-ene acetate oxime?

The molecular formula is C23H33NO3.

What is the molecular weight of Pregnenolone-16-ene acetate oxime?

The molecular weight is 371.5 g/mol.

What are some synonyms for Pregnenolone-16-ene acetate oxime?

Some synonyms include 16-DEHYDROPREGNENOLONE ACETATE OXIME and UNII-9ZIV2XI6U2.

What is the IUPAC name of Pregnenolone-16-ene acetate oxime?

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

What is the InChIKey of Pregnenolone-16-ene acetate oxime?

The InChIKey is OVKSHCIVDWZSJD-PYABZAOMSA-N.

What is the CAS number for Pregnenolone-16-ene acetate oxime?

The CAS number is 23549-24-8.

What is the XLogP3-AA value for Pregnenolone-16-ene acetate oxime?

The XLogP3-AA value is 4.8.

How many hydrogen bond donors are present in Pregnenolone-16-ene acetate oxime?

There is 1 hydrogen bond donor.

How many hydrogen bond acceptors are present in Pregnenolone-16-ene acetate oxime?

There are 4 hydrogen bond acceptors.

How many defined atom stereocenters are present in Pregnenolone-16-ene acetate oxime?

There are 6 defined atom stereocenters.