Compound Identification
SMILES
CCCCCC=CC=CC(=O)OC1C(C)C23OC4(OC(C2C2OC2(CO)C(O)C2(O)C3C=C(C)C2=O)C1(O4)C(C)=C)C1=CC=CC=C1
InChIKey
InChIKey=OBYWPUMYSJSSFH-UHFFFAOYSA-N
Formula
C37H44O10
Mass
648.749
Taxonomic Classification
Taxonomy Tree
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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 Fatty acid esters Ortho esters Benzene and substituted derivatives 1,3-dioxanes 1,3-dioxolanes Enoate esters Tertiary alcohols Ketones Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Fatty acid ester - Meta-dioxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Meta-dioxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Orthocarboxylic acid derivative - Ketone - Oxirane - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - 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