Compound Identification
SMILES
C[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.C[C@]12CC[C@H]3[C@@H](CCC45CC4CCC[C@]35C)[C@@H]1CC[C@@H]2C1=COC(=O)C=C1
InChIKey
InChIKey=RAOUPHVIEPETBA-FOYBWZSHSA-N
Formula
C31H46O7
Mass
530.702
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
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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
Hexoses Pyranones and derivatives Oxanes Heteroaromatic compounds Secondary alcohols Lactones Hemiacetals 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Bufanolide-skeleton - Hexose monosaccharide - Pyranone - Pyran - Monosaccharide - Oxane - Heteroaromatic compound - 1,2-diol - Hemiacetal - Lactone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen 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