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(1R*,3R*,4R*,8S*,9S*,11S*,12S*,16R*)-6,14-Bis[2,6-bis(pent-4-enyloxy)phenyl]-5,7,13,15-tetraoxa-6,14-diborahexacyclo[9.5.1.1(3,9).0(2,10).0(4,8).0(12,16)]octadecane
SpectraBase Compound ID 9WAXN3stRvU
InChI InChI=1S/C44H56B2O8/c1-5-9-13-23-47-33-19-17-20-34(48-24-14-10-6-2)39(33)45-51-41-29-27-30(42(41)52-45)38-32-28-31(37(29)38)43-44(32)54-46(53-43)40-35(49-25-15-11-7-3)21-18-22-36(40)50-26-16-12-8-4/h5-8,17-22,29-32,37-38,41-44H,1-4,9-16,23-28H2/t29-,30+,31-,32+,37?,38?,41-,42+,43-,44+
InChIKey UPYXSDGMERRWRE-ZSDHQDHKSA-N
Mol Weight 734.5 g/mol
Molecular Formula C44H56B2O8
Exact Mass 734.416129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43gADbh4Fa6
Name (1R*,3R*,4R*,8S*,9S*,11S*,12S*,16R*)-6,14-Bis[2,6-bis(pent-4-enyloxy)phenyl]-5,7,13,15-tetraoxa-6,14-diborahexacyclo[9.5.1.1(3,9).0(2,10).0(4,8).0(12,16)]octadecane
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Formula C44H56B2O8
InChI InChI=1S/C44H56B2O8/c1-5-9-13-23-47-33-19-17-20-34(48-24-14-10-6-2)39(33)45-51-41-29-27-30(42(41)52-45)38-32-28-31(37(29)38)43-44(32)54-46(53-43)40-35(49-25-15-11-7-3)21-18-22-36(40)50-26-16-12-8-4/h5-8,17-22,29-32,37-38,41-44H,1-4,9-16,23-28H2/t29-,30+,31-,32+,37?,38?,41-,42+,43-,44+
InChIKey UPYXSDGMERRWRE-ZSDHQDHKSA-N
Molecular Weight 734.544 g/mol
SMILES [C@@]12(OB(O[C@]1([C@@]1(C3[C@]4([C@@]5(OB(O[C@@]5([C@@](C3[C@]2(C1)[H])(C4)[H])[H])c1c(OCCCC=C)cccc1OCCCC=C)[H])[H])[H])[H])c1c(OCCCC=C)cccc1OCCCC=C)[H]
SPLASH splash10-001i-0000110900-3623accb210397811511
Source of Spectrum U1-2011-5854-19a
Wiley ID 1688665