Compound Identification
SMILES
CC(C)(O)\C=C\C[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
InChIKey=IJFYQSUPMMVTOA-GGZKZJLJSA-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 3-oxo delta-5-steroids 16-alpha-hydroxysteroids 14-alpha-methylsteroids 11-oxosteroids Delta-5-steroids Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - 20-hydroxysteroid - 3-oxo-delta-5-steroid - 3-oxosteroid - 14-alpha-methylsteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 2-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - Delta-5-steroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Cyclic ketone - Ketone - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - 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