Compound Identification
SMILES
CC1CC2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)C=CC=CCCCCCO)C(C)=C
InChIKey
InChIKey=BDLSWDBZFRTPFM-UHFFFAOYSA-N
Formula
C30H40O9
Mass
544.641
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Fatty alcohols 1,3-dioxepanes Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Secondary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Fatty alcohol - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Fatty acyl - Meta-dioxane - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Orthocarboxylic acid derivative - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Alcohol - Primary 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