Pregnenolone acetate

CAS

1778-02-5

Catalog Number

ACM1778025

Category

Steroidal Compounds

Molecular Weight

358.51

Molecular Formula

C₂₃H₃₄O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Previsone; Enescorb; Pregnenolone Acetate; Sharmone; Pregnenolone-3-acetate; ACETOXYPREGNENOLONE; 3β-Acetoxy-5-pregnen-20-one; 5-Pregnen-3β-ol-20-one acetate; Artivis; Pregenolone acetate;

IUPAC Name

[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate

Canonical SMILES

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

InChI Key

CRRKVZVYZQXICQ-RJJCNJEVSA-N

Boiling Point

452.9ºC at 760 mmHg

Melting Point

149-152ºC

Flash Point

194.2ºC

Density

1.09 g/cm³

Appearance

white to light yellow crystalline powder

EC Number

217-212-6

Exact Mass

358.25100

Safety Description

S24/25

Stability

Stable under normal temperatures and pressures.

WGK Germany

What is the molecular formula of pregnenolone acetate?

The molecular formula of pregnenolone acetate is C23H34O3.

What is the molecular weight of pregnenolone acetate?

The molecular weight of pregnenolone acetate is 358.5 g/mol.

What is the IUPAC name of pregnenolone acetate?

The IUPAC name of pregnenolone acetate is [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.

What is the InChIKey of pregnenolone acetate?

The InChIKey of pregnenolone acetate is CRRKVZVYZQXICQ-RJJCNJEVSA-N.

What is the canonical SMILES of pregnenolone acetate?

The canonical SMILES of pregnenolone acetate is CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C).

What is the CAS number of pregnenolone acetate?

The CAS number of pregnenolone acetate is 1778-02-5.

What is the UNII of pregnenolone acetate?

The UNII of pregnenolone acetate is 0G0WWV404B.

What is the ChEMBL ID of pregnenolone acetate?

The ChEMBL ID of pregnenolone acetate is CHEMBL1892286.

What is the NCI Thesaurus Code of pregnenolone acetate?

The NCI Thesaurus Code of pregnenolone acetate is C82316.