Compound Identification
SMILES
C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@@]34C=O)OS(O)(=O)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1
InChIKey
InChIKey=LQKIRCWMZFJFKX-OYWGPESYSA-N
Formula
C23H32O8S
Mass
468.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
19-oxosteroids 14-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Butenolides Alkyl sulfates Tertiary alcohols Enoate esters Lactones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-skeleton - Sulfated steroid skeleton - 19-oxosteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Organic sulfuric acid or derivatives - Dihydrofuran - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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