Compound Identification
SMILES
C[C@]12CCC3C(CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(O)=O)C11OC1CC2C1=COC(=O)C=C1
InChIKey
InChIKey=QNBHVXPSPWGVSA-BMOYMAITSA-N
Formula
C32H44O7
Mass
540.697
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
Steroid esters Naphthopyrans Naphthalenes Pyranones and derivatives Fatty acid esters Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Carboxylic acids Epoxides Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - Naphthopyran - Naphthalene - Fatty acid ester - Pyranone - Dicarboxylic acid or derivatives - Fatty acyl - Pyran - Oxane - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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