Compound Identification
SMILES
[H][C@@]1(CC[C@]2(O)[C@@]3([H])CC[C@]4(O)C[C@@]([H])(O)[C@]([H])(C[C@]4(C)[C@@]3([H])[C@]([H])(O)C(=O)[C@]12C)OC(C)=O)C1=COC(=O)C=C1
InChIKey
InChIKey=CXNYADIRHYEVFV-OAQRAGNNSA-N
Formula
C26H34O9
Mass
490.549
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
Steroid esters 11-alpha-hydroxysteroids Oxosteroids 14-hydroxysteroids 3-beta-hydroxysteroids Pyranones and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactones Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroid ester - 3-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - 3-beta-hydroxysteroid - Pyranone - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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