Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]34C)[C@@H]1CCC(=O)O2
InChIKey
InChIKey=LQJBTOOIUSOKCJ-UFTZPVOZSA-N
Formula
C19H27BrO4
Mass
399.325
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Naphthopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Naphthopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthopyrans
Alternative Parents
Naphthalenes Delta valerolactones Pyrans Oxanes Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Pyran - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Alkyl halide - Organooxygen compound - Organohalogen compound - Organobromide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors
Not available