Compound Identification
SMILES
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1C(OS(O)(=O)=O)C2=O)C1=COC(=O)C=C1
InChIKey
InChIKey=IKUFYUFXMHEBMY-UHFFFAOYSA-N
Formula
C24H32O9S
Mass
496.57
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 Bufanolides 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
Bufanolides and derivatives
Alternative Parents
14-hydroxysteroids Oxosteroids 3-hydroxysteroids Sulfated steroids Pyranones and derivatives Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Lactones Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Sulfated steroid skeleton - 3-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - Pyranone - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Sulfuric acid ester - Pyran - Tertiary alcohol - Cyclic alcohol - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactone - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available