Compound Identification
SMILES
CCCCC(C)\C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)C[C@@H](C(=C)C=O)C(=O)C=C12
InChIKey
InChIKey=PYJCCAGXSBOWEO-KUYZMLLXSA-N
Formula
C29H43O9P
Mass
566.628
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Alternative Parents
Fatty acid esters Dialkyl phosphates Cyclohexenones Acyl phosphates Dicarboxylic acids and derivatives Enoate esters Enals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Eremophilane sesquiterpenoid - Acyl phosphate - Cyclohexenone - Dialkyl phosphate - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha,beta-unsaturated aldehyde - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enal - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aldehyde - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.
External Descriptors
Not available