Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=ekbMncXWE2 SpectraBase Spectrum ID=9m5EKIYT3ix
http://spectrabase.com/spectrum/9m5EKIYT3ix (accessed Nov 21, 2019).

PBFBKJDZKGGOJI-CUVQDDJGSA-N
SpectraBase Compound ID ekbMncXWE2
InChI InChI=1S/C52H82O22/c1-47(2)14-22-21-8-9-28-49(5)12-11-30(48(3,4)27(49)10-13-50(28,6)51(21,7)15-29(56)52(22)16-31(47)72-46(52)65)71-45-41(74-43-39(64)36(61)34(59)25(17-53)69-43)37(62)35(60)26(70-45)20-68-44-40(33(58)24(55)19-67-44)73-42-38(63)32(57)23(54)18-66-42/h8,22-45,53-64H,9-20H2,1-7H3/t22?,23-,24-,25+,26+,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1
InChIKey PBFBKJDZKGGOJI-CUVQDDJGSA-N
Mol Weight 1059.2 g/mol
Molecular Formula C52H82O22
Exact Mass 1058.529775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m5EKIYT3ix
SpectraBase Batch ID GMCM9s8D5ek
Name PBFBKJDZKGGOJI-CUVQDDJGSA-N
Compound Number 7
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H82O22
InChI InChI=1S/C52H82O22/c1-47(2)14-22-21-8-9-28-49(5)12-11-30(48(3,4)27(49)10-13-50(28,6)51(21,7)15-29(56)52(22)16-31(47)72-46(52)65)71-45-41(74-43-39(64)36(61)34(59)25(17-53)69-43)37(62)35(60)26(70-45)20-68-44-40(33(58)24(55)19-67-44)73-42-38(63)32(57)23(54)18-66-42/h8,22-45,53-64H,9-20H2,1-7H3/t22?,23-,24-,25+,26+,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1
InChIKey PBFBKJDZKGGOJI-CUVQDDJGSA-N
Literature Reference Author K.YOSHIKAWA,Y.SUZAKI,M.TANAKA,S.ARIHARA,S.K.NIGAM
Literature Reference Citation J.NAT.PROD.,60,1269(1997)
Literature Reference DOI 10.1021/np9703555
Molecular Weight 1059.210 g/mol
Solvent C5D5N
Source File Reference UWRU337