Compound Identification
SMILES
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
InChIKey=SGUCHYFOTGXDTG-IEPPCUIASA-N
Formula
C32H44O9
Mass
572.695
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 Steroid esters 11-oxosteroids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-oxo delta-1-steroids 7-alpha-hydroxysteroids Delta-1-steroids Cyclohexenones Acyloins Tertiary alcohols Acryloyl compounds Alpha-hydroxy ketones Enones Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Monocarboxylic acids and derivatives Enols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - Steroid ester - 3-oxo-delta-1-steroid - 3-oxosteroid - 2-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - 14-alpha-methylsteroid - Oxosteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Enone - Acryloyl-group - Carboxylic acid ester - Secondary alcohol - Cyclic ketone - Ketone - Enol - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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