Compound Identification
SMILES
CC(O)C(O)C(O)C(O)C(=O)OC1CCC2(CN)C3CCC4(C)C(CCC4(O)C3CCC2(C1)OC(C)=O)C1=COC(=O)C=C1
InChIKey
InChIKey=KGIQEFYYZAHCSX-UHFFFAOYSA-N
Formula
C32H47NO11
Mass
621.724
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 14-hydroxysteroids Sugar acids and derivatives Pyranones and derivatives Aralkylamines Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Amino acids and derivatives Carboxylic acid esters Lactones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Hydroxysteroid - 14-hydroxysteroid - Beta-hydroxy acid - Pyranone - Aralkylamine - Sugar acid - Monosaccharide - Dicarboxylic acid or derivatives - Hydroxy acid - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Lactone - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary aliphatic amine - Organonitrogen 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