Compound Identification
SMILES
C[C@]12CC(O)C3C(CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(O)=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1
InChIKey
InChIKey=PIZLMBYRGJZNDF-RZUAVCPJSA-N
Formula
C32H46O8
Mass
558.712
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
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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 11-hydroxysteroids Medium-chain fatty acids Pyranones and derivatives Hydroxy fatty acids Heterocyclic fatty acids Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 11-hydroxysteroid - Hydroxysteroid - 14-hydroxysteroid - Medium-chain fatty acid - Pyranone - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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