Compound Identification
SMILES
C[C@@H]1C[C@@]2(OC3(O[C@@H]2[C@@H]2C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C1=CC=CC=C1)C(C)=C
InChIKey
InChIKey=XCLASCBJWIQFEU-RFBATBSSSA-N
Formula
C27H30O6
Mass
450.531
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
Ortho esters Carboxylic acid orthoesters 1,3-dioxepanes Benzene and substituted derivatives 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Ketones Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Ketone - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Primary 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