Compound Identification
SMILES
[H]\C(=C(/C)[C@@]1([H])C[C@]([H])(OC(C)=O)[C@@]2(C)[C@@]34O[C@]3([H])C[C@@]3([H])C(=C)CC([H])(C[C@]3(C)C4([H])CC(=O)[C@]12C)C(O)=O)[C@]1([H])C[C@@]([H])(C)C(=O)O1
InChIKey
InChIKey=SMNUGOZSIUXIRO-IHEYFCCKSA-N
Formula
C32H42O8
Mass
554.68
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 Prostaglandins and related compounds Steroid esters Tricarboxylic acids and derivatives Oxepanes Gamma butyrolactones Tetrahydrofurans Ketones Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Withanolide-skeleton - Prostaglandin skeleton - Eicosanoid - Steroid ester - Tricarboxylic acid or derivatives - Oxepane - Fatty acyl - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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