Compound Identification
SMILES
CC(O)C1CC(OC(=O)C1C)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
InChIKey
InChIKey=RPCTUYZLPGGPJD-UHFFFAOYSA-N
Formula
C29H44O8
Mass
520.663
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Withanolides and derivatives
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Subclass
Steroid lactones
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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
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Withanolides and derivatives
Alternative Parents
Triterpenoids Ecdysteroids 14-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Delta-7-steroids Cyclohexenones Delta valerolactones Oxanes Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Withanolide-skeleton - Ecdysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 2-hydroxysteroid - 14-hydroxysteroid - 6-oxosteroid - Hydroxysteroid - Oxosteroid - Delta-7-steroid - Delta valerolactone - Cyclohexenone - Delta_valerolactone - Oxane - Tertiary alcohol - Cyclic alcohol - Lactone - Secondary alcohol - Ketone - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring.
External Descriptors
Not available