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Structure

1,4-Androstadien-11-beta-ol-3,17-dione

CAS
898-84-0
Catalog Number
ACM898840
Category
Steroidal Compounds
Molecular Weight
300.39
Molecular Formula
C19H24O3

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Specification

Synonyms
1,4-Androstadien-11|A-ol-3,17-dione; 11|A-Hydroxy-1,4-androstadiene-3,17-dione;
IUPAC Name
(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Canonical SMILES
CC12CC(C3C(C1CCC2=O)CCC4=CC(=O)C=CC34C)O
InChI Key
ZHOLUHXKCIXGSR-KCZNZURUSA-N
Exact Mass
300.17300
What is the molecular formula of 1,4-Androstadien-11-beta-ol-3,17-dione?

The molecular formula is C19H24O3.

What is the molecular weight of 1,4-Androstadien-11-beta-ol-3,17-dione?

The molecular weight is 300.4 g/mol.

When was 1,4-Androstadien-11-beta-ol-3,17-dione created?

It was created on September 10, 2005.

When was 1,4-Androstadien-11-beta-ol-3,17-dione last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 1,4-Androstadien-11-beta-ol-3,17-dione?

The IUPAC name is 11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.

What is the InChI of 1,4-Androstadien-11-beta-ol-3,17-dione?

The InChI is InChI=1S/C19H24O3/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/h7-9,13-15,17,21H,3-6,10H2,1-2H3.

What is the InChIKey of 1,4-Androstadien-11-beta-ol-3,17-dione?

The InChIKey is ZHOLUHXKCIXGSR-UHFFFAOYSA-N.

What is the canonical SMILES of 1,4-Androstadien-11-beta-ol-3,17-dione?

The canonical SMILES is CC12CC(C3C(C1CCC2=O)CCC4=CC(=O)C=CC34C)O.

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

The XLogP3-AA value is 2.1.

How many hydrogen bond donor and acceptor counts does 1,4-Androstadien-11-beta-ol-3,17-dione have?

It has 1 hydrogen bond donor count and 3 hydrogen bond acceptor counts.

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