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CHEBI:78307 - ambroxan

ChEBI IDCHEBI:78307
ChEBI Nameambroxan
Stars
DefinitionA diterpenoid derived from sclareol that is responsible for the odour of ambergris (a solid, waxy, flammable substance produced in the digestive system of sperm whales).
Last Modified2 June 2021
Submitternamrata
DownloadsMolfile
FormulaC16H28O
Net Charge0
Average Mass236.399
Monoisotopic Mass236.21402
SMILES[H][C@]12CCO[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1
InChIKeyYPZUZOLGGMJZJO-LQKXBSAESA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
ambroxan (CHEBI:78307) is a diterpenoid (CHEBI:23849)
ambroxan (CHEBI:78307) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan
Synonyms  Source
AmbroxideChemIDplus
8alpha,12-Oxido-13,14,15,16-tetranorlabdaneChemIDplus
ambroxChEBI
Manual XrefsDatabases
EP2438182Patent
HMDB0036831HMDB
AmbroxanWikipedia
9032756ChemSpider
Registry NumbersSources
Reaxys:81615Reaxys
CAS:6790-58-5ChemIDplus
Citations