3-Bromo-4-[(2,6-dihydroxy-4-pentyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one

SpectraBase Compound ID	EkucLnLxNxS
InChI	InChI=1S/C20H27BrO3/c1-4-5-6-7-11-8-14(22)17(15(23)9-11)16-12-10-13(20(12,2)3)19(24)18(16)21/h8-9,12-13,16,18,22-23H,4-7,10H2,1-3H3/t12-,13+,16-,18-/m1/s1
InChIKey	IFUHNVGDIOZAMS-ZDFLXESQSA-N Google Search
Mol Weight	395.34 g/mol
Molecular Formula	C20H27BrO3
Exact Mass	394.114358 g/mol

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SpectraBase Spectrum ID	KHfmLhegZBo
Name	3-Bromo-4-[(2,6-dihydroxy-4-pentyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H27BrO3
InChI	InChI=1S/C20H27BrO3/c1-4-5-6-7-11-8-14(22)17(15(23)9-11)16-12-10-13(20(12,2)3)19(24)18(16)21/h8-9,12-13,16,18,22-23H,4-7,10H2,1-3H3/t12-,13+,16-,18-/m1/s1
InChIKey	IFUHNVGDIOZAMS-ZDFLXESQSA-N
Molecular Weight	395.337 g/mol
SMILES	Oc1c(c(cc(c1)CCCCC)O)[C@]1([C@@]2(C(C)(C)[C@](C([C@@]1(Br)[H])=O)(C2)[H])[H])[H]
SPLASH	splash10-001i-7393000000-35ad5112bfca766d5630
Source of Spectrum	F-48-9182-12
Wiley ID	1366575