Compound Identification
SMILES
CC(C1CCC2C3CC4OC44C(O)C(CC(=O)C4(C)C3CCC12C)N1CCCC1)C1CC(C)=C(CO)C(=O)O1
InChIKey
InChIKey=CFDSVRUCYWVQNW-UHFFFAOYSA-N
Formula
C32H47NO6
Mass
541.729
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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
5,6-epoxysteroids Oxepanes Dihydropyranones N-alkylpyrrolidines Enoate esters Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Cyclic alcohols and derivatives Lactones Ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Epoxides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 5,6-epoxysteroid - Dihydropyranone - Oxepane - Pyran - N-alkylpyrrolidine - Pyrrolidine - Cyclic alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - 1,2-aminoalcohol - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Ketone - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - 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