Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(CCC34C=O)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=HQEHABLFHCPQHP-UHFFFAOYSA-N
Formula
C25H33BrO7
Mass
525.436
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 19-oxosteroids 14-hydroxysteroids Butenolides Dicarboxylic acids and derivatives Tertiary alcohols Alpha-halocarboxylic acid derivatives Enoate esters Cyclic alcohols and derivatives Lactones Oxacyclic compounds Organic oxides Organobromides Alkyl bromides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 2-furanone - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Aldehyde - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Alcohol - 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