Compound Identification
SMILES
C[C@H](C(O)CC(O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
InChIKey=XNVPZHUWJCSREL-BUBSINNCSA-N
Formula
C36H60O10
Mass
652.866
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 11-oxosteroids 14-alpha-methylsteroids 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Delta-5-steroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Hexoses O-glycosyl compounds Oxanes Ketones Cyclic alcohols and derivatives Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 24-hydroxysteroid - 22-hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - 11-oxosteroid - Oxosteroid - Delta-5-steroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Monosaccharide - Fatty acyl - Cyclic alcohol - Secondary alcohol - Ketone - Oxacycle - Polyol - Acetal - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Alcohol - Aliphatic heteropolycyclic 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