Bulnesol (CHEBI:167421)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Bulnesol

ChEBI ID	CHEBI:167421

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O

Net Charge

Average Mass

222.372

Monoisotopic Mass

222.19837

InChI

InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3/t11-,12+,14-/m0/s1

InChIKey

LGOFSGDSFQNIAT-SCRDCRAPSA-N

SMILES

OC([C@]1(C[C@]2([C@H](CCC2=C(CC1)C)C)[H])[H])(C)C

ChEBI Ontology
Outgoing	Bulnesol (CHEBI:167421) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

2-[(3S,3aS,5R)-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl]propan-2-ol