Compound Identification
SMILES
CC(C)(O)\C=C\C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@@]3(C)CC[C@@]12C
InChIKey
InChIKey=GFGOZQVJYCVTSK-PWVNLFPTSA-N
Formula
C30H46O6
Mass
502.692
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 Oxosteroids 3-hydroxy delta-5-steroids 3-alpha-hydroxysteroids 16-alpha-hydroxysteroids Delta-5-steroids Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Cucurbitacin skeleton - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-alpha-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 2-oxosteroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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