Compound Identification
SMILES
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1C(OP(O)(O)=O)C2=O)C1=COC(=O)C=C1
InChIKey
InChIKey=CQSJDLLAGOJABE-UHFFFAOYSA-N
Formula
C24H33O9P
Mass
496.493
Taxonomic Classification
Taxonomy Tree
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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
Oxosteroids 3-hydroxysteroids 14-hydroxysteroids Pyranones and derivatives Monoalkyl phosphates Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Ketones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - 3-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - Monoalkyl phosphate - Pyranone - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Lactone - Ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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