Compound Identification
SMILES
CC(O)C(O)C(O)C(O)C(=O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(C1)OC(C)=O)C1=COC(=O)C=C1
InChIKey
InChIKey=WAXXWFRWXZWOIE-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 14-hydroxysteroids Sugar acids and derivatives Pyranones and derivatives Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Monosaccharides Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactones Polyols Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 19-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Beta-hydroxy acid - Sugar acid - Pyranone - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Primary alcohol - Aromatic 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