Compound Identification
SMILES
C[C@@H]1[C@H](OC(=O)C2=CC=C(OC(C)=O)C=C2)[C@]2(O)[C@H]3[C@H]1[C@H](C)CCCCCC[C@@H](O)C14O[C@@H]5[C@H]([C@@H]6O[C@]6(CO)[C@H]2O)[C@]3(O1)[C@H](COC(=O)C1=CC=CC=C1)C[C@]5(O4)C(C)=C
InChIKey
InChIKey=CRBQLRREAFNGOX-JFWHILCZSA-N
Formula
C46H56O14
Mass
832.94
Taxonomic Classification
Taxonomy Tree
-
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
Benzoic acid esters Phenol esters Tricarboxylic acids and derivatives Benzoyl derivatives Phenoxy compounds Carboxylic acid orthoesters Ortho esters 1,3-dioxepanes 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Polyols Dialkyl ethers Epoxides Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Phenol ester - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Phenoxy compound - Benzoyl - 1,3-dioxepane - Dioxepane - Ortho ester - Carboxylic acid orthoester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Meta-dioxolane - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Orthocarboxylic acid derivative - Dialkyl ether - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary alcohol - Organic oxygen compound - Alcohol - 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