Deoxycorticosterone Acetate

CAS

56-47-3

Catalog Number

ACM56473

Category

Steroidal Compounds

Molecular Weight

372.50

Molecular Formula

C23H32O4

MSDS COA Spec Sheet

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Specification

Synonyms

[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;

IUPAC Name

[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate

Canonical SMILES

CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChI Key

VPGRYOFKCNULNK-ACXQXYJUSA-N

Boiling Point

504.1ºC at 760 mmHg

Melting Point

157ºC

Flash Point

218ºC

Density

1.14 g/cm³

Appearance

White solid

EC Number

200-275-9

Exact Mass

372.23000

Packing Group

Safety Description

S22-S24/25

Stability

Stable at normal temperatures and pressures.

WGK Germany

What is the molecular formula of deoxycorticosterone acetate?

The molecular formula of deoxycorticosterone acetate is C23H32O4.

What is the molecular weight of deoxycorticosterone acetate?

The molecular weight of deoxycorticosterone acetate is 372.5 g/mol.

What is the IUPAC name of deoxycorticosterone acetate?

The IUPAC name of deoxycorticosterone acetate is [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the InChIKey of deoxycorticosterone acetate?

The InChIKey of deoxycorticosterone acetate is VPGRYOFKCNULNK-ACXQXYJUSA-N.

What is the canonical SMILES of deoxycorticosterone acetate?

The canonical SMILES of deoxycorticosterone acetate is CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C).

What is the CAS number of deoxycorticosterone acetate?

The CAS number of deoxycorticosterone acetate is 56-47-3.

What is the UNII of deoxycorticosterone acetate?

The UNII of deoxycorticosterone acetate is 6E0A168OB8.

What is the ChEMBL ID of deoxycorticosterone acetate?

The ChEMBL ID of deoxycorticosterone acetate is CHEMBL1200542.

What is the hydrogen bond donor count of deoxycorticosterone acetate?

The hydrogen bond donor count of deoxycorticosterone acetate is 0.

What is the topological polar surface area of deoxycorticosterone acetate?

The topological polar surface area of deoxycorticosterone acetate is 60.4Å².