Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=COC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=DCSLTSSPIJWEJN-YRFFWODSSA-N
Formula
C36H52O15
Mass
724.797
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Steroidal glycosides 19-oxosteroids 14-hydroxysteroids Disaccharides O-glycosyl compounds Pyranones and derivatives Oxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Polyols Acetals Primary alcohols Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroidal glycoside - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Pyran - Oxane - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Secondary alcohol - Lactone - Polyol - Oxacycle - Organoheterocyclic compound - Acetal - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aldehyde - Organooxygen 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
KEGG (C08868) : bufanolide - Bufanolides and derivatives