CHEBI:78307 - ambroxan

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ChEBI Name ambroxan
ChEBI ID CHEBI:78307
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H28O
Net Charge 0
Average Mass 236.39290
Monoisotopic Mass 236.214
InChI InChI=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
InChIKey YPZUZOLGGMJZJO-LQKXBSAESA-N
SMILES C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CCO2
ChEBI Ontology
Outgoing 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 Sources
8alpha,12-Oxido-13,14,15,16-tetranorlabdane ChemIDplus
ambrox ChEBI
Ambroxide ChemIDplus
Manual Xrefs Databases
Ambroxan Wikipedia
EP2438182 Patent
HMDB0036831 HMDB
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Registry Numbers Types Sources
6790-58-5 CAS Registry Number ChemIDplus
81615 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17416571 PubMed citation Europe PMC
22959531 PubMed citation Europe PMC
23113661 PubMed citation Europe PMC
Last Modified
23 April 2014