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)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=SSXCVTWCXHGTLK-HPSSUOODSA-N
Formula
C44H54O12
Mass
774.904
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
Benzoic acid esters Benzoyl derivatives 1,3-dioxepanes Carboxylic acid orthoesters Ortho esters Dicarboxylic acids and derivatives 1,3-dioxanes 1,3-dioxolanes Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Epoxides Dialkyl ethers Oxacyclic compounds Polyols 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 - Ortho ester - Dioxepane - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Meta-dioxolane - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Orthocarboxylic acid derivative - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Ether - Oxirane - Organooxygen compound - Organic oxide - Organic oxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - 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