16-Dehydropregnenolone

CAS

1162-53-4

Catalog Number

ACM1162534

Category

Steroidal Compounds

Molecular Weight

314.47

Molecular Formula

C₂₁H₃₀O₂

MSDS COA Spec Sheet

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Specification

Synonyms

Dehydropregnenolone; 16-DEHYDRO PREGNENLONE ACETATE; 5A,16-DEHYROPREGNENOLONE; delta16-Pregnenolone; DPA; Pregna-5,16-dienolone; 16-Dehydropregnenolone; CDRI/80-574; 16-DPA; 16-dehydro-pregnenolone; 16-Dehydropregnolone;

IUPAC Name

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

Canonical SMILES

CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChI Key

YLFRRPUBVUAHSR-RRPFGEQOSA-N

Boiling Point

456.6ºC at 760 mmHg

Flash Point

194.4ºC

Density

1.11 g/cm³

EC Number

214-602-8

Exact Mass

314.22500

Hazard Statements

Safety Description

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .

WGK Germany

What is the molecular formula of 16-Dehydropregnenolone?

The molecular formula of 16-Dehydropregnenolone is C21H30O2.

What is the molecular weight of 16-Dehydropregnenolone?

The molecular weight of 16-Dehydropregnenolone is 314.5 g/mol.

What are the synonyms of 16-Dehydropregnenolone?

The synonyms of 16-Dehydropregnenolone are 16-Dehydropregnolone and 16,17-Didehydropregnenolone.

What is the IUPAC name of 16-Dehydropregnenolone?

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

What is the InChI of 16-Dehydropregnenolone?

The InChI of 16-Dehydropregnenolone is InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1.

What is the InChIKey of 16-Dehydropregnenolone?

The InChIKey of 16-Dehydropregnenolone is YLFRRPUBVUAHSR-RRPFGEQOSA-N.

What is the canonical SMILES of 16-Dehydropregnenolone?

The canonical SMILES of 16-Dehydropregnenolone is CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C).

What is the CAS number of 16-Dehydropregnenolone?

The CAS number of 16-Dehydropregnenolone is 1162-53-4.

What is the European Community (EC) number of 16-Dehydropregnenolone?

The European Community (EC) number of 16-Dehydropregnenolone is 214-602-8.

What is the molecular weight of 16-Dehydropregnenolone according to PubChem?

The molecular weight of 16-Dehydropregnenolone is 314.5 g/mol according to PubChem.