Compound Identification
SMILES
C[C@]12CCC3C(CCC4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1
InChIKey
InChIKey=DSXQIXUWAMDIKX-YKGMHSGNSA-N
Formula
C24H34O7S
Mass
466.59
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 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 Sulfated steroids Pyranones and derivatives Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Heteroaromatic compounds Lactones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Sulfated steroid skeleton - 14-hydroxysteroid - Hydroxysteroid - Pyranone - Pyran - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Heteroaromatic compound - Organic sulfuric acid or derivatives - Tertiary alcohol - Cyclic alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - 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