Compound Identification
SMILES
CC(O)C(O)C(O)C(O)C(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(C1)OC(C)=O)C1COC(=O)C=C1
InChIKey
InChIKey=JWWBNMPLIATWNA-UHFFFAOYSA-N
Formula
C32H46O12
Mass
622.708
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
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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
Bufanolides and derivatives
Alternative Parents
Steroid esters 19-oxosteroids 14-hydroxysteroids Tricarboxylic acids and derivatives Sugar acids and derivatives Beta hydroxy acids and derivatives Dihydropyranones Monosaccharides Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Polyols Oxacyclic compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Tricarboxylic acid or derivatives - Sugar acid - Beta-hydroxy acid - Dihydropyranone - Pyran - Hydroxy acid - Monosaccharide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available