Compound Identification
SMILES
CC(=O)O[C@H]1[C@H]2O[C@]22[C@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C1=COC(=O)C=C1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=LTFQQGPJNXCYAC-CHZNAAQWSA-N
Formula
C32H44O11
Mass
604.693
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 Naphthopyrans Hexoses O-glycosyl compounds Naphthalenes Pyranones and derivatives Oxanes Heteroaromatic compounds Secondary alcohols Lactones Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroidal glycoside - Bufanolide-skeleton - Steroid ester - Naphthopyran - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Naphthalene - Pyranone - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - 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