Compound Identification
SMILES
C[C@H]1[C@H](C)[C@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC5)OC1=O
InChIKey
InChIKey=LSGLUPXTGXDHCT-ZBAFWHTDSA-N
Formula
C31H48O4
Mass
484.721
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 3-alpha-hydroxysteroids Oxepanes Ketals Gamma butyrolactones Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Withanolide-skeleton - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - Ketal - Oxepane - Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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