Compound Identification
SMILES
C[C@H]1CCCC(C)=CCC[C@@](C)(O)C(=O)C[C@@H]2[C@@H](OC(=O)[C@@]2(O)CC2CCCO2)[C@@H]1OC(C)=O
InChIKey
InChIKey=MSLHPYQRTZTNEH-QMECOOHKSA-N
Formula
C26H40O8
Mass
480.598
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Diterpene lactones
- Level 6 Cembranolides
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Level 5
Diterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Diterpene lactones
Direct Parent
Cembranolides
Alternative Parents
Cembrane diterpenoids Gamma butyrolactones Dicarboxylic acids and derivatives Acyloins Tetrahydrofurans Tertiary alcohols Cyclic ketones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cembranolide-skeleton - Cembrane diterpenoid - Diterpenoid - Acyloin - Dicarboxylic acid or derivatives - Gamma butyrolactone - Tetrahydrofuran - Tertiary alcohol - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cembranolides. These are diterpenoids with a structure based on a cembrane skeleton fused to a lactone ring (5- or 6-membered).
External Descriptors
Not available