Compound Identification
SMILES
CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C2=COC(=O)C=C2O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12
InChIKey
InChIKey=UMKXLNJPECZRGS-UHFFFAOYSA-N
Formula
C32H44O13
Mass
636.691
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 Steroid esters 14-hydroxysteroids Delta-4-steroids Hexoses O-glycosyl compounds Pyranones and derivatives Oxanes Vinylogous acids Heteroaromatic compounds Tertiary alcohols Lactones Carboxylic acid esters Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroidal glycoside - Steroid ester - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Monosaccharide - Oxane - Pyran - Cyclic alcohol - Vinylogous acid - Tertiary alcohol - Heteroaromatic compound - Lactone - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Primary alcohol - Alcohol - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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