Compound Identification
SMILES
C[C@H]1C[C@@H](C=C(C)C)C2=C3C1CC[C@H](C)C3=C(OCC1=CC=CC=C1)C(OC(=O)C1=CC=C(Br)C=C1)=C2C
InChIKey
InChIKey=QVJGKHCTHQSIRB-HBVHRZOASA-N
Formula
C34H37BrO3
Mass
573.571
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
- 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
Amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids
Alternative Parents
Tetralins Phenol esters Benzoic acid esters 4-halobenzoic acids and derivatives Phenol ethers Benzoyl derivatives Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Amphilectane, neoamphilectane, cycloamphilectane, or adociane diterpenoid - Benzoate ester - Phenol ester - Tetralin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids. These are diterpenoids with a structure based on the amphilectane or a seco-,neo-, or cyclo- derivative thereof. Amphilectane is a tricyclic structure made up of three cyclohexane fused together, with a methyl group at the C11-, C7-, and C3- positions. Additionally, it carries a 2-methylpropyl group at the C1-position. Amphilectanes are presumably derived from serrulatanes. Cycloamphilectanes represent a further cyclisation.
External Descriptors
Not available