Compound Identification
SMILES
CC(O)C(O)C(O)C(O)C(=O)OC1CCC2(C=O)C3CCC4(C)C(C(O)CC4(O)C3CCC2(C1)OC(C)=O)C1=COC(=O)C=C1
InChIKey
InChIKey=TXRAFSXHKCSWFH-UHFFFAOYSA-N
Formula
C32H44O13
Mass
636.691
Taxonomic Classification
Taxonomy Tree
-
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 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 16-hydroxysteroids Sugar acids and derivatives Pyranones and derivatives Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactones Polyols Oxacyclic compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - 16-hydroxysteroid - Beta-hydroxy acid - Sugar acid - Pyranone - Pyran - Dicarboxylic acid or derivatives - Monosaccharide - Hydroxy acid - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aldehyde - 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