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)C1=COC(=O)C(O)=C1
InChIKey
InChIKey=TXMMIPUAMJIXCD-UHFFFAOYSA-N
Formula
C32H44O13
Mass
636.691
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 Bufanolides 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
Bufanolides and derivatives
Alternative Parents
Steroid esters 19-oxosteroids 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 Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Beta-hydroxy acid - Sugar acid - Pyranone - Dicarboxylic acid or derivatives - Hydroxy acid - Pyran - Monosaccharide - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Aldehyde - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - 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