Compound Identification
SMILES
COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)C3[C@@H](O)C=C4C(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
InChIKey
InChIKey=JITGKINHLQAZRO-DWBWGUFHSA-N
Formula
C31H52O3
Mass
472.754
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 7-alpha-hydroxysteroids 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 14-alpha-methylsteroids Delta-5-steroids Secondary alcohols Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Cucurbitacin skeleton - 3-hydroxy-delta-5-steroid - 14-alpha-methylsteroid - 3-hydroxysteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - Delta-5-steroid - Cyclic alcohol - Secondary alcohol - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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