Compound Identification
SMILES
CC1CC(OC(C)=O)C(O)C(OC2CCC3(C(O)CC(O)=O)C4C(O)C(=O)C5(C)C(CCC5(O)C4CCC3(O)C2)C2=COC(=O)C=C2)O1
InChIKey
InChIKey=GLVLEJHYDJORRZ-UHFFFAOYSA-N
Formula
C34H46O14
Mass
678.728
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
Steroidal glycosides 11-hydroxysteroids 14-hydroxysteroids Oxosteroids Carbocyclic fatty acids Pyranones and derivatives Beta hydroxy acids and derivatives Hydroxy fatty acids Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Tertiary alcohols Ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Lactones Oxacyclic compounds Carboxylic acids Polyols Acetals Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroidal glycoside - 19-hydroxysteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - 11-hydroxysteroid - 12-oxosteroid - Oxosteroid - Carbocyclic fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Pyranone - Fatty acyl - Dicarboxylic acid or derivatives - Oxane - Pyran - Hydroxy acid - Tertiary alcohol - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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