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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C16H28O Net Charge 0 Average Mass 236.39290 Monoisotopic Mass 236.21402 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 9032756 ChemSpider Ambroxan Wikipedia EP2438182 Patent HMDB0036831 HMDB View more database links Registry Numbers Types Sources 6790-58-5 CAS Registry Number ChemIDplus 81615 Reaxys Registry Number Reaxys Citations Types Sources 17416571 PubMed citation Europe PMC 22959531 PubMed citation Europe PMC 23113661 PubMed citation Europe PMC 25846965 PubMed citation Europe PMC 27581945 PubMed citation Europe PMC Last Modified 02 June 2021