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)CCCCCC[C@@H](O)[C@]14O[C@@H]5[C@H]([C@@H]6O[C@]6(CO)[C@H]2O)[C@]3(O1)[C@H](COC(C)=O)C[C@@]5(O4)C(C)=C
InChIKey
InChIKey=BFHLRYLNRYJJGC-SVFXPMRDSA-N
Formula
C39H52O12
Mass
712.833
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
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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
Benzoic acid esters Benzoyl derivatives 1,3-dioxepanes Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Dicarboxylic acids and derivatives Tertiary alcohols 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Ether - Oxirane - Oxacycle - Dialkyl ether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Alcohol - Organooxygen compound - Organic oxygen 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