Compound Identification
SMILES
C[C@@H]1C[C@@](OC(=O)CC2=CC=CC=C2)([C@H](OC(=O)CC2=CC=CC=C2)[C@@H]2C=C(COC(C)=O)C[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]12OC(=O)CC1=CC=CC=C1)C(C)=C
InChIKey
InChIKey=BAVWENOOPJQVAU-HXYQWVDFSA-N
Formula
C46H48O10
Mass
760.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Rhamnofolane and daphnane diterpenoids
Alternative Parents
Tetracarboxylic acids and derivatives Benzene and substituted derivatives Tertiary alcohols Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Daphnane diterpenoid - Tetracarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as rhamnofolane and daphnane diterpenoids. These are diterpenoids with a structure based on one the rhamnofolane or daphnane skeleton. The rhamnofolane and daphnane skeletons are closely related, being formally derived from casbane by two cyclizations (6,10 and 5,14) followed by cleavage of the 1,15 (daphnane) or 2,15 (rhamnofolane) cyclopropane bonds.
External Descriptors
Not available