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XESTOVANIN-A
SpectraBase Compound ID 78Y5xG6UeBb
InChI InChI=1S/C42H68O12/c1-21(2)13-15-30(43)24(6)20-29-38(49)41(10)18-11-12-28(41)25(7)42(29,50)19-17-23(5)31(16-14-22(3)4)53-39-36(48)34(46)37(27(9)52-39)54-40-35(47)33(45)32(44)26(8)51-40/h13-14,17,20,25-37,39-40,43-48,50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26+,27-,28?,29+,30?,31?,32+,33-,34-,35-,36-,37+,39+,40?,41+,42-/m0/s1
InChIKey IPNCRIZBOSAWLA-GNLATYOUSA-N
Mol Weight 765.0 g/mol
Molecular Formula C42H68O12
Exact Mass 764.471078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnQhPAizNUp
Name XESTOVANIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O12
InChI InChI=1S/C42H68O12/c1-21(2)13-15-30(43)24(6)20-29-38(49)41(10)18-11-12-28(41)25(7)42(29,50)19-17-23(5)31(16-14-22(3)4)53-39-36(48)34(46)37(27(9)52-39)54-40-35(47)33(45)32(44)26(8)51-40/h13-14,17,20,25-37,39-40,43-48,50H,11-12,15-16,18-19H2,1-10H3/b23-17+,24-20+/t25-,26+,27-,28?,29+,30?,31?,32+,33-,34-,35-,36-,37+,39+,40?,41+,42-/m0/s1
InChIKey IPNCRIZBOSAWLA-GNLATYOUSA-N
Literature Reference Author P.T.NORTHCOTE,R.J.ANDERSEN
Literature Reference Citation J.AM.CHEM.SOC.,111,6276(1989)
Literature Reference DOI 10.1021/ja00198a044
Molecular Weight 764.995 g/mol
Solvent DMSO-D6
Source File Reference UWED10689