Compound Identification
SMILES
CC(=O)OC1CC2(O)C3(O)CCC(C4=COC(=O)C=C4)C3(C)CCC2(O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12
InChIKey
InChIKey=VBPCPIUWTTWVLF-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
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
-
Subclass
Steroid lactones
-
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 Tertiary alcohols Heteroaromatic compounds Lactones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds 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 - Pyran - Monosaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Organic oxide - Primary alcohol - 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