Compound Identification
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(CCCCCCCCCCC)O[C@]3(C[C@@H](C)[C@]1(O4)[C@@H]1C=C(C)C(=O)[C@@]1(O)[C@@H]2O)C(C)=C
InChIKey
InChIKey=YAOIPFIERXDZGV-OURQGGBMSA-N
Formula
C48H78O9
Mass
799.143
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
Glycidol esters 1,3-dioxepanes Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes 1,2-diols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Ketones Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Glycidol ester - 1,3-dioxepane - Dioxepane - Fatty acid ester - Ortho ester - Carboxylic acid orthoester - Meta-dioxane - Fatty acyl - Meta-dioxolane - Tertiary alcohol - Cyclic alcohol - Ketone - Orthocarboxylic acid derivative - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Oxirane - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic 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