Compound Identification
SMILES
CC12C(CCC1(OP(O)(O)=O)C1CCC3CC(O)CCC3(C)C1C(O)C2=O)C1=COC(=O)C=C1
InChIKey
InChIKey=VPWJPYOJLGNVEE-UHFFFAOYSA-N
Formula
C24H33O9P
Mass
496.493
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
Oxosteroids 3-hydroxysteroids 11-hydroxysteroids Pyranones and derivatives Monoalkyl phosphates 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 - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-hydroxysteroid - Pyranone - Monoalkyl phosphate - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Heteroaromatic compound - Cyclic alcohol - Lactone - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - 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