Compound Identification
SMILES
CC(=O)OC(C)(C)C(N)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12C
InChIKey
InChIKey=PMNGGVPGIGZSBB-UHFFFAOYSA-N
Formula
C32H51NO8
Mass
577.759
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 25-azasteroids and derivatives Steroid esters 11-oxosteroids 16-hydroxysteroids 3-hydroxy delta-5-steroids Delta-5-steroids Acyloins Beta-amino ketones Tertiary alcohols Alpha-hydroxy ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 25-azasteroid - 22-oxosteroid - 21-oxosteroid - Steroid ester - 20-hydroxysteroid - 16-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Oxosteroid - Hydroxysteroid - 11-oxosteroid - Azasteroid - Delta-5-steroid - Acyloin - Beta-aminoketone - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Primary alcohol - Organopnictogen compound - Carbonyl group - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Primary aliphatic amine - 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