Compound Identification
SMILES
CCCCCCCCCCCCCCCC(=O)OCC12OC1C1C3OC4(OC3(C(OC(C)=O)C(C)C1(O4)C1C=C(C)C(=O)C1(O)C2O)C(C)=C)C=CC=CCCCCCCCCCC
InChIKey
InChIKey=YTPXZROKHIYLNT-UHFFFAOYSA-N
Formula
C53H82O11
Mass
895.228
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
-
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 Ortho esters 1,3-dioxepanes Carboxylic acid orthoesters 1,3-dioxanes Dicarboxylic acids and derivatives Tertiary alcohols 1,3-dioxolanes Secondary alcohols 1,2-diols Ketones Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Glycidol ester - Dioxepane - 1,3-dioxepane - Fatty acid ester - Carboxylic acid orthoester - Ortho ester - Meta-dioxane - Dicarboxylic acid or derivatives - Fatty acyl - Meta-dioxolane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - 1,2-diol - Orthocarboxylic acid derivative - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Dialkyl ether - Oxirane - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - 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