Compound Identification
SMILES
CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@H](C)\C=C\C(C)(C)C1=O
InChIKey
InChIKey=MXOYUWCRNWWMAH-HNNPOHMXSA-N
Formula
C37H48O12
Mass
684.779
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Jatrophane and cyclojatrophane diterpenoids
Alternative Parents
Pentacarboxylic acids and derivatives Benzoic acid esters Benzoyl derivatives Alpha-acyloxy ketones Tertiary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Jatrophane diterpenoid - Pentacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton.
External Descriptors
Not available