1,4-Androstadien-3,11,17-trione

CAS

7738-93-4

Catalog Number

ACM7738934

Category

Steroidal Compounds

Molecular Weight

298.38

Molecular Formula

C₁₉H₂₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

DELTA-1-ADRENOSTERONE;DELTA1-ANDRENOSTERONE;ANDROSTA-1,4-DIENE-3,11,1,7-TRIONE;1-DEHYDROANDRENOSTERONE;1,4-ANDROSTADIENE-3,11,17-TRIONE;1,4-ANDROSTADIEN-3,11,17-TRIONE;1(2)-DEHYDROADRENOSTERONE;D1-Adrenosterone

IUPAC Name

(8S,9S,10R,13S,14S)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione

InChI Key

RZACPWSZIQKVDY-IRIMSJTPSA-N

Boiling Point

481.5ºC at 760 mmHg

Flash Point

208.8ºC

Density

1.21g/cm³

Exact Mass

298.15700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1,4-Androstadien-3,11,17-trione?

The molecular formula of 1,4-Androstadien-3,11,17-trione is C19H22O3.

What is the molecular weight of 1,4-Androstadien-3,11,17-trione?

The molecular weight of 1,4-Androstadien-3,11,17-trione is 298.4 g/mol.

What is the IUPAC name of 1,4-Androstadien-3,11,17-trione?

The IUPAC name of 1,4-Androstadien-3,11,17-trione is (8S,9S,10R,13S,14S)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione.

What is the InChI of 1,4-Androstadien-3,11,17-trione?

The InChI of 1,4-Androstadien-3,11,17-trione is InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1.

What is the InChIKey of 1,4-Androstadien-3,11,17-trione?

The InChIKey of 1,4-Androstadien-3,11,17-trione is RZACPWSZIQKVDY-IRIMSJTPSA-N.

What is the canonical SMILES of 1,4-Androstadien-3,11,17-trione?

The canonical SMILES of 1,4-Androstadien-3,11,17-trione is CC12CC(=O)C3C(C1CCC2=O)CCC4=CC(=O)C=CC34C.

What is the CAS number of 1,4-Androstadien-3,11,17-trione?

The CAS number of 1,4-Androstadien-3,11,17-trione is 7738-93-4.

What is the EC number of 1,4-Androstadien-3,11,17-trione?

The EC number of 1,4-Androstadien-3,11,17-trione is 231-799-6.

What is the UNII of 1,4-Androstadien-3,11,17-trione?

The UNII of 1,4-Androstadien-3,11,17-trione is VR7WQ2G5Z1.

What is the XLogP3-AA value of 1,4-Androstadien-3,11,17-trione?

The XLogP3-AA value of 1,4-Androstadien-3,11,17-trione is 1.8.