Compound Identification
SMILES
C[C@@H]1[C@H](OC(=O)C2=CC=CC=C2)[C@]2(O)[C@H]3[C@H]1[C@H](C)CCCCCCCC14O[C@@H]5[C@H]([C@@H]6O[C@]6(CO)[C@H]2O)[C@]3(O1)[C@H](C)C[C@]5(O4)C(C)=C
InChIKey
InChIKey=IAPHKDDUYAWCMB-JYNWTSLZSA-N
Formula
C37H50O9
Mass
638.798
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
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
Benzoic acid esters Benzoyl derivatives 1,3-dioxepanes Carboxylic acid orthoesters Ortho esters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Monocyclic benzene moiety - Meta-dioxane - Benzenoid - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic 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