Compound Identification
SMILES
CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC2OC22C3CC(O)C45OC4C=CC(=O)C5(C)C3CCC12C
InChIKey
InChIKey=XSBNUWSOJKDKCJ-UHFFFAOYSA-N
Formula
C28H36O8
Mass
500.588
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
Naphthopyrans Naphthalenes Cyclohexenones Dihydropyranones Oxanes Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Naphthopyran - Naphthalene - Dihydropyranone - Cyclohexenone - Pyran - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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