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(1R*,3R*,4R*,8S*,9S*,11S*,12S*,16R*)-6,14-Bis[2,6-bis(oct-7-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 3JGS8U00xXG
InChI InChI=1S/C56H80B2O8/c1-5-9-13-17-21-25-35-59-45-31-29-32-46(60-36-26-22-18-14-10-6-2)51(45)57-63-53-41-39-42(54(53)64-57)50-44-40-43(49(41)50)55-56(44)66-58(65-55)52-47(61-37-27-23-19-15-11-7-3)33-30-34-48(52)62-38-28-24-20-16-12-8-4/h5-8,29-34,41-44,49-50,53-56H,1-4,9-28,35-40H2/t41-,42+,43-,44+,49?,50?,53-,54+,55-,56+
InChIKey ATYBIUWKJVBUBA-DZTKPDNISA-N
Mol Weight 902.9 g/mol
Molecular Formula C56H80B2O8
Exact Mass 902.60393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCs7rZXscV9
Name (1R*,3R*,4R*,8S*,9S*,11S*,12S*,16R*)-6,14-Bis[2,6-bis(oct-7-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 C56H80B2O8
InChI InChI=1S/C56H80B2O8/c1-5-9-13-17-21-25-35-59-45-31-29-32-46(60-36-26-22-18-14-10-6-2)51(45)57-63-53-41-39-42(54(53)64-57)50-44-40-43(49(41)50)55-56(44)66-58(65-55)52-47(61-37-27-23-19-15-11-7-3)33-30-34-48(52)62-38-28-24-20-16-12-8-4/h5-8,29-34,41-44,49-50,53-56H,1-4,9-28,35-40H2/t41-,42+,43-,44+,49?,50?,53-,54+,55-,56+
InChIKey ATYBIUWKJVBUBA-DZTKPDNISA-N
Molecular Weight 902.868 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(OCCCCCCC=C)cccc1OCCCCCCC=C)[H])[H])[H])[H])c1c(OCCCCCCC=C)cccc1OCCCCCCC=C)[H]
SPLASH splash10-0udi-0001200019-1fc794b27b96c1166448
Source of Spectrum U1-2011-5854-19d
Wiley ID 1688663