Compound Identification
SMILES
C[C@@H]1[C@H](OC2=CC=CC=C2)[C@]2(O)[C@H]3[C@H]1[C@H](C)CCCCCCC[C@]14OC5[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=CIUTZSCVJVOITD-YOHWXSRMSA-N
Formula
C36H50O8
Mass
610.788
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
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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
Phenol ethers Phenoxy compounds 1,3-dioxepanes Alkyl aryl ethers Carboxylic acid orthoesters Ortho esters 1,3-dioxanes 1,3-dioxolanes Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Phenoxy compound - Phenol ether - 1,3-dioxepane - Alkyl aryl ether - Carboxylic acid orthoester - Ortho ester - Dioxepane - Meta-dioxane - Benzenoid - Monocyclic benzene moiety - Meta-dioxolane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Orthocarboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Alcohol - 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