Compound Identification
SMILES
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[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=DIMVUFICPPIRQD-CQSXLOEPSA-N
Formula
C42H70O14
Mass
799.008
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 14-alpha-methylsteroids 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Delta-5-steroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Disaccharides O-glycosyl compounds Oxanes Tertiary alcohols 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 - 25-hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 11-oxosteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Oxosteroid - Delta-5-steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Oxane - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Organic oxide - 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