Compound Identification
SMILES
C[C@@]12[C@H](CC[C@]1(O)C1CC[C@]3(O)C[C@@H](O)CC[C@]3(C)C1C(=O)[C@H]2O)C1=COC(=O)C=C1
InChIKey
InChIKey=GYNRCHNCFPXZSR-DGOKKBGTSA-N
Formula
C24H32O7
Mass
432.513
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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-beta-hydroxysteroids 14-hydroxysteroids 12-hydroxysteroids 11-oxosteroids Pyranones and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - 3-beta-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Pyranone - Pyran - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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