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(1S,4R,6R)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-7,7-dimethyl-3-oxabicyclo[4.1.0]heptane
SpectraBase Compound ID 4rlZAL2a7Zw
InChI InChI=1S/C22H32O3/c1-14(2)19-20-18(22(20,4)5)13-25-21(19)15(3)11-24-12-16-7-9-17(23-6)10-8-16/h7-10,15,18,20-21H,11-13H2,1-6H3/t15-,18-,20-,21+/m0/s1
InChIKey NRDPOKNFPKSYRZ-CEDBRAGKSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6ywhqxf8dP
Name (1S,4R,6R)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-7,7-dimethyl-3-oxabicyclo[4.1.0]heptane
Alternate Name(s) (1S,4R,6R)-4-((S)-1-((4-methoxybenzyl)oxy)propan-2-yl)-7,7-dimethyl-5-(propan-2-ylidene)-3-oxabicyclo[4.1.0]heptane
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Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-14(2)19-20-18(22(20,4)5)13-25-21(19)15(3)11-24-12-16-7-9-17(23-6)10-8-16/h7-10,15,18,20-21H,11-13H2,1-6H3/t15-,18-,20-,21+/m0/s1
InChIKey NRDPOKNFPKSYRZ-CEDBRAGKSA-N
Literature Reference DOI 10.1021/ol101741f
Molecular Weight 344.495 g/mol
SMILES C1([C@@]2(C([C@](OC[C@]12[H])([C@](COCc1ccc(cc1)OC)(C)[H])[H])=C(C)C)[H])(C)C
SPLASH splash10-00xr-1900000000-b82adeba093e85af9dc5
Source of Spectrum A1-12-4144/SMS23-29
Wiley ID 1752541