Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)C=CC(C)(C)OC(C)=O
InChIKey
InChIKey=MJBVHNXBYFMUNE-HUHBOWMASA-N
Formula
C34H46O9
Mass
598.733
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
Vitamin D and derivatives Triterpenoids Steroid esters Hydroxysteroids 3-oxo delta-1-steroids 14-alpha-methylsteroids 11-oxosteroids Delta-1-steroids Fatty alcohol esters M-quinomethanes Cyclohexenones Dicarboxylic acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Cucurbitacin skeleton - 22-oxosteroid - 21-oxosteroid - Steroid ester - 20-hydroxysteroid - 14-alpha-methylsteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 2-hydroxysteroid - 3-oxosteroid - 3-oxo-delta-1-steroid - Delta-1-steroid - Fatty alcohol ester - Quinomethane - M-quinomethane - Cyclohexenone - Alpha-branched alpha,beta-unsaturated-ketone - Dicarboxylic acid or derivatives - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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