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(4R)-4-{4-[1-(6-Bromohexyl)cyclopentyl]-2,6-dihydroxy-phenyl}- 6,6-dimethyl-2-norpinanone
SpectraBase Compound ID 3MnD22LBknL
InChI InChI=1S/C26H37BrO3/c1-25(2)19-16-20(25)21(28)15-18(19)24-22(29)13-17(14-23(24)30)26(10-6-7-11-26)9-5-3-4-8-12-27/h13-14,18-20,29-30H,3-12,15-16H2,1-2H3/t18-,19-,20+/m1/s1
InChIKey ZIRNUJOGRWIQDD-AQNXPRMDSA-N
Mol Weight 477.5 g/mol
Molecular Formula C26H37BrO3
Exact Mass 476.192608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7FWL0UB2Go
Name (4R)-4-{4-[1-(6-Bromohexyl)cyclopentyl]-2,6-dihydroxy-phenyl}- 6,6-dimethyl-2-norpinanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37BrO3
InChI InChI=1S/C26H37BrO3/c1-25(2)19-16-20(25)21(28)15-18(19)24-22(29)13-17(14-23(24)30)26(10-6-7-11-26)9-5-3-4-8-12-27/h13-14,18-20,29-30H,3-12,15-16H2,1-2H3/t18-,19-,20+/m1/s1
InChIKey ZIRNUJOGRWIQDD-AQNXPRMDSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100641g
Molecular Weight 477.483 g/mol
SMILES Oc1c(c(cc(c1)C1(CCCCCCBr)CCCC1)O)[C@@]1(CC([C@@]2(C[C@]1(C2(C)C)[H])[H])=O)[H]
SPLASH splash10-0w34-3249300000-1855e00110a8b17cc458
Source of Spectrum AF-53-7006-14c
Wiley ID 1846285