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(1R*,3R*,4R*,8S*,9S*,11S*,12S*,16R*)-6,14-Bis[2,6-bis(hex-5-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 JOrpTjFFVX4
InChI InChI=1S/C48H64B2O8/c1-5-9-13-17-27-51-37-23-21-24-38(52-28-18-14-10-6-2)43(37)49-55-45-33-31-34(46(45)56-49)42-36-32-35(41(33)42)47-48(36)58-50(57-47)44-39(53-29-19-15-11-7-3)25-22-26-40(44)54-30-20-16-12-8-4/h5-8,21-26,33-36,41-42,45-48H,1-4,9-20,27-32H2/t33-,34+,35-,36+,41?,42?,45-,46+,47-,48+
InChIKey RULLBJHODVVAQD-PTPKPJGESA-N
Mol Weight 790.7 g/mol
Molecular Formula C48H64B2O8
Exact Mass 790.478729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMnfPrpjHBA
Name (1R*,3R*,4R*,8S*,9S*,11S*,12S*,16R*)-6,14-Bis[2,6-bis(hex-5-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H64B2O8
InChI InChI=1S/C48H64B2O8/c1-5-9-13-17-27-51-37-23-21-24-38(52-28-18-14-10-6-2)43(37)49-55-45-33-31-34(46(45)56-49)42-36-32-35(41(33)42)47-48(36)58-50(57-47)44-39(53-29-19-15-11-7-3)25-22-26-40(44)54-30-20-16-12-8-4/h5-8,21-26,33-36,41-42,45-48H,1-4,9-20,27-32H2/t33-,34+,35-,36+,41?,42?,45-,46+,47-,48+
InChIKey RULLBJHODVVAQD-PTPKPJGESA-N
Molecular Weight 790.652 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(OCCCCC=C)cccc1OCCCCC=C)[H])[H])[H])[H])c1c(OCCCCC=C)cccc1OCCCCC=C)[H]
SPLASH splash10-0006-0000300900-db8eb33f5b4e9652ed11
Source of Spectrum U1-2011-5854-19b
Wiley ID 1688664