4-Pregnen-16|-methyl-3,20-dione

CAS

1239-79-8

Catalog Number

ACM1239798

Category

Steroidal Compounds

Molecular Weight

328.49

Molecular Formula

C₂₂H₃₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

16ALPHA-METHYL-4-PREGNENE 3,20-DIONE;16-ALPHA-METHYLPROGESTERONE;16-A-METHYLPROGESTERONE;4-PREGNEN-16-ALPHA-METHYL-3,20-DIONE;16α-Methylpregn-4-ene-3,20-dione

IUPAC Name

(10R,13S)-17-acetyl-10,13,16-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Canonical SMILES

CC1CC2C3CCC4=CC(=O)CCC4(C3CCC2(C1C(=O)C)C)C

InChI Key

JYYRDDFNMDZIIP-AUODBQOQSA-N

Boiling Point

453.7ºC at 760mmHg

Flash Point

169ºC

Density

1.07g/cm³

Exact Mass

328.24000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4-Pregnen-16|-methyl-3,20-dione?

The molecular formula of 4-Pregnen-16|-methyl-3,20-dione is C22H32O2.

What is the molecular weight of 4-Pregnen-16|-methyl-3,20-dione?

The molecular weight of 4-Pregnen-16|-methyl-3,20-dione is 328.5 g/mol.

What is the IUPAC name of 4-Pregnen-16|-methyl-3,20-dione?

The IUPAC name of 4-Pregnen-16|-methyl-3,20-dione is (8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of 4-Pregnen-16|-methyl-3,20-dione?

The InChI of 4-Pregnen-16|-methyl-3,20-dione is InChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17-,18+,19+,20-,21+,22+/m1/s1.

What is the InChIKey of 4-Pregnen-16|-methyl-3,20-dione?

The InChIKey of 4-Pregnen-16|-methyl-3,20-dione is JYYRDDFNMDZIIP-SMWISZJMSA-N.

What is the canonical SMILES of 4-Pregnen-16|-methyl-3,20-dione?

The canonical SMILES of 4-Pregnen-16|-methyl-3,20-dione is CC1CC2C3CCC4=CC(=O)CCC4(C3CCC2(C1C(=O)C)C)C.

What is the CAS number of 4-Pregnen-16|-methyl-3,20-dione?

The CAS number of 4-Pregnen-16|-methyl-3,20-dione is 1239-79-8.

What is the ChEMBL ID of 4-Pregnen-16|-methyl-3,20-dione?

The ChEMBL ID of 4-Pregnen-16|-methyl-3,20-dione is CHEMBL2311119.

What is the XLogP3 value of 4-Pregnen-16|-methyl-3,20-dione?

The XLogP3 value of 4-Pregnen-16|-methyl-3,20-dione is 4.3.

What is the hydrogen bond acceptor count of 4-Pregnen-16|-methyl-3,20-dione?

The hydrogen bond acceptor count of 4-Pregnen-16|-methyl-3,20-dione is 2.