Compound Identification
SMILES
CCCCOC1=CC2C(=CCC3C4(C)CC(O)C(C(C)(O)C(=O)C=CC(C)(C)O)C4(C)CC(=O)C23C)C(C)(C)C1=O
InChIKey
InChIKey=XPFZTVLSOMXDLN-UHFFFAOYSA-N
Formula
C34H50O7
Mass
570.767
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 3-oxo delta-1-steroids 16-hydroxysteroids 11-oxosteroids Delta-1-steroids Cyclohexenones Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols 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 - 16-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-1-steroid - Delta-1-steroid - Cyclohexenone - 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