Compound Identification
SMILES
CC1C=C2OC(=O)C(C)(O)C2(C)C2C(O)C3C4C(C(OC(C)=O)C(OC(C)=O)C3(C)C12)C1(C)C(OC(C)=O)C2OC2CC1C(OC(C)=O)C4=O
InChIKey
InChIKey=HKSRTGSAOLNZLX-UHFFFAOYSA-N
Formula
C36H46O14
Mass
702.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
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
Steroid esters 7-oxosteroids Hydroxysteroids Pentacarboxylic acids and derivatives Alpha-acyloxy ketones Oxepanes Tetrahydrofurans Tertiary alcohols Enol esters Ketones Secondary alcohols Cyclic alcohols and derivatives Lactones Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Steroid ester - 15-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-oxosteroid - Pentacarboxylic acid or derivatives - Oxepane - Alpha-acyloxy ketone - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Enol ester - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxirane - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Carbonyl group - 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