Compound Identification
SMILES
C[C@H]([C@@H](C[C@@H](OC(C)=O)C(C)(C)O)OC(C)=O)C1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12CO
InChIKey
InChIKey=VNEQIRWUIXRANF-RJQDIVEQSA-N
Formula
C34H54O7
Mass
574.799
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
-
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 18-hydroxysteroids 3-oxo delta-5-steroids 14-alpha-methylsteroids Delta-5-steroids Dicarboxylic acids and derivatives Tertiary alcohols Cyclic ketones Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - Steroid ester - 18-hydroxysteroid - 3-oxo-delta-5-steroid - 3-oxosteroid - 14-alpha-methylsteroid - Oxosteroid - Hydroxysteroid - Delta-5-steroid - Dicarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Primary alcohol - 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