Compound Identification
SMILES
[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCC)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChIKey
InChIKey=XZSVYVIYKBHVMV-FOMYWIRZSA-N
Formula
C27H40O6
Mass
460.611
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids 3-oxo delta-4-steroids 17-hydroxysteroids 11-beta-hydroxysteroids Delta-4-steroids Cyclohexenones Alpha-acyloxy ketones Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Alpha-acyloxy ketone - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
CHEBI:31676 :
3-oxo steroid - 11beta-hydroxy steroid - 17alpha-hydroxy steroid - glucocorticoid - 20-oxo steroid - cortisol ester
LIPIDMAPS (LMST02030129) :
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
KEGG (C13422) :
C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives