Compound Identification
SMILES
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34CO)OC(=O)CCCCCCCCCCCCCO)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1
InChIKey
InChIKey=ZYNSTXVXEDNVFS-XJBAPAIJSA-N
Formula
C38H60O9
Mass
660.889
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 11-alpha-hydroxysteroids 14-hydroxysteroids Long-chain fatty alcohols Pyranones and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactones Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 19-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - Long chain fatty alcohol - Fatty alcohol - Pyranone - Fatty acyl - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Lactone - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Primary 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