Compound Identification
SMILES
CC1CC2(OC3(CC4=CC=CC=C4)OC2C2C=C(COC(=O)C4=CC=C(Br)C=C4)CC4(O)C(C=C(C)C4=O)C12O3)C(C)=C
InChIKey
InChIKey=SWUNYAGOWDOTHZ-UHFFFAOYSA-N
Formula
C35H35BrO7
Mass
647.562
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
Benzoic acid esters 4-halobenzoic acids and derivatives Benzoyl derivatives Ortho esters Carboxylic acid orthoesters Bromobenzenes 1,3-dioxepanes Aryl bromides 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Ortho ester - Halobenzene - Dioxepane - Carboxylic acid orthoester - Bromobenzene - 1,3-dioxepane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Meta-dioxane - Tertiary alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - 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