Dehydroepiandrosterone acetate

CAS

853-23-6

Catalog Number

ACM853236

Category

Steroidal Compounds

Molecular Weight

330.46

Molecular Formula

C₂₁H₃₀O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Dehydroepiandrosteroneacetate; DHEAacetate; DHEA-acetate, Dehydroepiandrosterone acetate; DHEAacetate(prasterone acetate); 3-SS-HYDROXY-DEOXYANDROST-5-ENE-17-ONE-3-ACETATE; DEHYDROANDROSTERONE ACETATE; DEHYDROISOANDROSTERONE-3-ACETATE; 3-(ACETYLOXY)ANDROST-5-ENE-17-ONE; DEHYDRO EPIANDROSTERONE 3-ACETATE,OFF-WHITE SOLID; ANDROST-5-EN-17-ONE, 3-(ACETYLOXY)-, (3SS)-; prasterone acetate; DEHYDRO EPIANDROSTERONE 3-ACETATE; DEHYDROISOANDROSTERONE ACETATE; DEHYDROEPIANDROSTERONE ACETATE(DHA); DEHYDRO EPIANDROSTERONE ACETATE; DEHYDROEPIANDROSTERONE-3-ACETATE; Epiandrosterone Acetate; 3-Β-Hydroxy-Deoxyandrost-5-Ene-17-One-3-Acetate; Dehydroepiandrosterone acetate; DHEA ACETATE; DEHYDROEPIANDROSTERONEACETATE(DHEAACETATE);

IUPAC Name

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

Canonical SMILES

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C

InChI Key

NCMZQTLCXHGLOK-ZKHIMWLXSA-N

Boiling Point

434.8ºC at 760 mmHg

Melting Point

168-170ºC

Flash Point

188.1ºC

Density

1.09 g/cm³

EC Number

212-714-1

Exact Mass

330.21900

Safety Description

22-24/25

What is the molecular formula of Dehydroepiandrosterone acetate?

The molecular formula of Dehydroepiandrosterone acetate is C21H30O3.

What is the molecular weight of Dehydroepiandrosterone acetate?

The molecular weight of Dehydroepiandrosterone acetate is 330.5 g/mol.

What is the IUPAC name of Dehydroepiandrosterone acetate?

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

What is the InChI of Dehydroepiandrosterone acetate?

The InChI of Dehydroepiandrosterone acetate is InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1.

What is the InChIKey of Dehydroepiandrosterone acetate?

The InChIKey of Dehydroepiandrosterone acetate is NCMZQTLCXHGLOK-ZKHIMWLXSA-N.

What is the Canonical SMILES of Dehydroepiandrosterone acetate?

The Canonical SMILES of Dehydroepiandrosterone acetate is CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.

What is the XLogP3 value of Dehydroepiandrosterone acetate?

The XLogP3 value of Dehydroepiandrosterone acetate is 3.8.

How many hydrogen bond donor counts does Dehydroepiandrosterone acetate have?

Dehydroepiandrosterone acetate has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Dehydroepiandrosterone acetate have?

Dehydroepiandrosterone acetate has 3 hydrogen bond acceptor counts.