Compound Identification
SMILES
C[C@H]([C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1)[C@]12O[C@H]1[C@H](OC(C)=O)[C@]1(O)[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]21C
InChIKey
InChIKey=LBNOIKRBLYMNFW-XPQZGYLJSA-N
Formula
C36H50O15
Mass
722.781
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
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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
Diterpene glycosides Steroidal glycosides Steroid esters Diterpene lactones 12-beta-hydroxysteroids 14-hydroxysteroids 6-hydroxysteroids Oxosteroids Diterpenoids Naphthopyrans O-glycosyl compounds Naphthalenes Cyclohexenones Dihydropyranones Dicarboxylic acids and derivatives Oxanes Monosaccharides Enoate esters Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Dialkyl ethers Polyols Acetals Epoxides Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene glycoside - Withanolide-skeleton - Steroidal glycoside - Steroid ester - Diterpene lactone - Diterpenoid - 12-hydroxysteroid - 10-hydroxysteroid - 12-beta-hydroxysteroid - 14-hydroxysteroid - 6-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 1-oxosteroid - Terpene glycoside - Naphthopyran - O-glycosyl compound - Glycosyl compound - Naphthalene - Cyclohexenone - Dihydropyranone - Dicarboxylic acid or derivatives - Pyran - Monosaccharide - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Polyol - Acetal - Oxirane - Ether - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - 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