Compound Identification
SMILES
CC12CCC3C(CCC4(O)CC(CCC34C=O)OP(O)(O)=O)C1(O)CCC2C1=COC(=O)C=C1
InChIKey
InChIKey=CGGWGQNLHICKNG-UHFFFAOYSA-N
Formula
C24H33O9P
Mass
496.493
Taxonomic Classification
Taxonomy Tree
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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
19-oxosteroids 14-hydroxysteroids Pyranones and derivatives Monoalkyl phosphates Tertiary alcohols Heteroaromatic compounds Lactones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - Pyranone - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Alkyl phosphate - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Alcohol - Carbonyl group - 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