Compound Identification
SMILES
CC(C)C1=CC(=O)C(C)(O1)C1C(O)CC2(C)C3CC=C4C(CCC(OC(C)=O)C4(C)C)C3(C)C(=O)CC12C
InChIKey
InChIKey=OAQPMBCYFIHMTG-UHFFFAOYSA-N
Formula
C32H46O6
Mass
526.714
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 Steroid esters 16-hydroxysteroids 11-oxosteroids Delta-5-steroids Furanones Vinylogous esters Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 21-oxosteroid - Steroid ester - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 16-hydroxysteroid - Delta-5-steroid - 3-furanone - Vinylogous ester - Cyclic alcohol - Dihydrofuran - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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