Compound Identification
SMILES
CC12CCC3C(CCC4CC(CCC34C)OP(O)(Cl)=O)C11OC1CC2C1=COC(=O)C=C1
InChIKey
InChIKey=MPDGJFHNJVPKQB-UHFFFAOYSA-N
Formula
C24H32ClO6P
Mass
482.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
-
Subclass
Steroid lactones
-
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
Naphthopyrans Naphthalenes Pyranones and derivatives Phosphate esters Oxanes Heteroaromatic compounds Lactones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Naphthopyran - Naphthalene - Pyranone - Organic phosphoric acid derivative - Oxane - Pyran - Phosphoric acid ester - Heteroaromatic compound - Lactone - Oxacycle - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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