Compound Identification
SMILES
CCCCC\C=C\C=C\[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)[C@H](C)[C@@H](OC(C)=O)[C@]3(O2)C(C)=C
InChIKey
InChIKey=NHELFTYSELEEFD-BDZIUULGSA-N
Formula
C32H42O10
Mass
586.678
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
1,3-dioxepanes Carboxylic acid orthoesters Ortho esters 1,3-dioxanes 1,3-dioxolanes Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Meta-dioxane - Meta-dioxolane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Orthocarboxylic acid derivative - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen 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