Compound Identification
SMILES
CC12CCC3C(CCC4CC(CCC34C)OCC3OC(O)C(O)C(O)C3O)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=MNSAQQBARMYNHI-UHFFFAOYSA-N
Formula
C29H44O9
Mass
536.662
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 Cardenolides 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
Cardenolides and derivatives
Alternative Parents
14-hydroxysteroids Oxanes Butenolides Monosaccharides Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Hemiacetals Polyols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - 14-hydroxysteroid - Hydroxysteroid - 2-furanone - Monosaccharide - Oxane - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Lactone - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Polyol - Dialkyl ether - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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