Compound Identification
SMILES
CC12CCC3C(CCC4CC(CCC34C)OP(O)(=O)N3CCOCC3)C1(O)CCC2C1=COC(=O)C=C1
InChIKey
InChIKey=ZUBYQLDTLBJMFI-UHFFFAOYSA-N
Formula
C28H42NO7P
Mass
535.618
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
14-hydroxysteroids Pyranones and derivatives Phosphoric monoester monoamides Phosphate esters Morpholines Tertiary alcohols Heteroaromatic compounds Lactones Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - 14-hydroxysteroid - Hydroxysteroid - Pyranone - Phosphoric monoester monoamide - Morpholine - Organic phosphoric acid derivative - Oxazinane - Phosphoric acid ester - Pyran - Organic phosphoric acid amide - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Lactone - Dialkyl ether - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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