Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C2=COC(=O)C=C2)[C@H](O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=RKSRPLRHMPQXPN-KEEGOLBRSA-N
Formula
C38H54O14
Mass
734.836
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
Steroidal glycosides 14-hydroxysteroids Delta-4-steroids O-glycosyl compounds Disaccharides Pyranones and derivatives Oxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactones Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroidal glycoside - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Oxane - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Primary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - 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
Not available