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> Main
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).
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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
236.21402
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
(3a
R
,5a
S
,9a
S
,9b
R
)-
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