Compound Identification
SMILES
C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1C(C[C@@H](OC(=O)C3=CC=C(Br)C=C3)[C@]21C)C(=C)[C@@H]1O[C@@H]1[C@@H](Cl)C(C)(C)O
InChIKey
InChIKey=ACMSRGMNRRZRQO-LIACFYCOSA-N
Formula
C27H34BrClO4
Mass
537.92
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
Spatane and 4,10-secospatane diterpenoids
Alternative Parents
4-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary alcohols Carboxylic acid esters Chlorohydrins Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Alkyl chlorides Hydrocarbon derivatives Organochlorides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Spatane diterpenoid - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organochloride - Organooxygen compound - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as spatane and 4,10-secospatane diterpenoids. These are diterpenoids with a structure based on the spatane or 4,10-secospatane skeleton. The spatane skeleton is formally derived from a prenylgermacrane by 1,5- and 6,10-cyclisation.
External Descriptors
Not available