Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(CCC34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=PORLQGCIBQPFNX-UHFFFAOYSA-N
Formula
C31H42O12
Mass
606.665
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Cardenolides and derivatives
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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
Cardenolides and derivatives
Alternative Parents
Steroid esters 14-hydroxysteroids Pentacarboxylic acids and derivatives Butenolides Tertiary alcohols Enoate esters Lactones Cyclic alcohols and derivatives Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Pentacarboxylic acid or derivatives - 2-furanone - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available