Compound Identification
SMILES
CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
InChIKey
InChIKey=XATDXOUNLNYHKC-UHFFFAOYSA-N
Formula
C30H44O9
Mass
548.673
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
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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
Cucurbitacins
Intermediate Tree Nodes
Not available
Direct Parent
Cucurbitacins
Alternative Parents
Triterpenoids 11-oxosteroids 16-hydroxysteroids 3-oxo delta-1-steroids 7-hydroxysteroids Delta-1-steroids Cyclohexenones Acyloins Beta-hydroxy ketones Alpha-hydroxy ketones Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Polyols Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - 24-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-oxo-delta-1-steroid - Hydroxysteroid - 3-oxosteroid - 2-hydroxysteroid - 16-hydroxysteroid - 7-hydroxysteroid - Oxosteroid - 11-oxosteroid - Delta-1-steroid - Cyclohexenone - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Ketone - Enol - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
External Descriptors
Not available