Compound Identification
SMILES
CC12CCC3C(CCC4=CC(O)CCC34C)C1(CCC2C1=COC(=O)C=C1)OP(O)(O)=O
InChIKey
InChIKey=IOXFBCBXCZKGAH-UHFFFAOYSA-N
Formula
C24H33O7P
Mass
464.495
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
3-hydroxy delta-4-steroids Delta-4-steroids Pyranones and derivatives Monoalkyl phosphates Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - 3-hydroxy-delta-4-steroid - 3-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Pyranone - Monoalkyl phosphate - Alkyl phosphate - Pyran - Phosphoric acid ester - Organic phosphoric acid derivative - Heteroaromatic compound - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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