Compound Identification
SMILES
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
InChIKey
InChIKey=WKCJIGSUKSPCKI-UAOGMFHKSA-N
Formula
C34H48O11
Mass
632.747
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
-
Subclass
Steroid lactones
-
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
Steroidal glycosides 5,6-epoxysteroids O-glycosyl compounds Cyclohexenones Dihydropyranones Oxepanes Monosaccharides Oxanes Enoate esters Secondary alcohols Lactones Acetals Monocarboxylic acids and derivatives Epoxides Polyols Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Aldehydes Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Steroidal glycoside - 5,6-epoxysteroid - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Oxepane - Cyclohexenone - Monosaccharide - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkyl ether - Oxacycle - Acetal - Ether - Oxirane - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Carbonyl group - Alcohol - 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