Compound Identification
SMILES
CC(C)(O)C1CC(=O)C(C)(O1)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
InChIKey
InChIKey=YCNIKEBNKOIJKD-UHFFFAOYSA-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-hydroxy delta-5-steroids 16-hydroxysteroids 11-oxosteroids Delta-5-steroids Furanones Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 21-oxosteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 16-hydroxysteroid - Delta-5-steroid - 3-furanone - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carbonyl group - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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