Compound Identification
SMILES
COC(=O)[C@@H]1[C@@](C)(O)[C@H](O)C=C2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C
InChIKey
InChIKey=JIMMCGITPGMPBR-OPHGAPNZSA-N
Formula
C21H34O4
Mass
350.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Hydroxysteroids
-
Level 5
12-hydroxysteroids
- Level 6 12-beta-hydroxysteroids
-
Level 5
12-hydroxysteroids
-
Subclass
Hydroxysteroids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Hydroxysteroids
Intermediate Tree Nodes
12-hydroxysteroids
Direct Parent
12-beta-hydroxysteroids
Alternative Parents
Hydrophenanthrenes Tertiary alcohols Methyl esters Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
12-beta-hydroxysteroid - Hydrophenanthrene - Phenanthrene - Methyl ester - Tertiary alcohol - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 12-beta-hydroxysteroids. These are hydroxysteroids carrying a beta-hydroxyl group at the 12-position.
External Descriptors
Not available