Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(CCC34C=O)OC(=O)C[N]3(C)C4CC(CC3C3OC43)OC(=O)C(CO)C3=CC=CC=C3)C1(O)CCC2C1=CC(=O)OC1
InChIKey
InChIKey=XFKQVAHNXCJTSS-UHFFFAOYSA-N
Formula
C42H54NO11
Mass
748.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
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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 Alpha amino acid esters Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Piperidines Butenolides Benzene and substituted derivatives N-alkylpyrrolidines Morpholines Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Lactones Epoxides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Aldehydes Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Steroid ester - 19-oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Oxosteroid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Beta-hydroxy acid - N-alkylpyrrolidine - Monocyclic benzene moiety - Hydroxy acid - Piperidine - Benzenoid - Oxazinane - 2-furanone - Morpholine - Enoate ester - Cyclic alcohol - Tertiary alcohol - Dihydrofuran - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Aldehyde - Organonitrogen compound - Primary alcohol - Organooxygen compound - Aromatic 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