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QBNIELHCHILIGB-XWEJCIEOSA-N

View entire compound with spectra: 1 NMR

QBNIELHCHILIGB-XWEJCIEOSA-N
SpectraBase Compound ID dKcMmjRhLG
InChI InChI=1S/C42H46O22/c1-19(43)55-17-42(64-25(7)49)18-56-41(39(42)61-24(6)48)54-16-31-35(57-20(2)44)37(59-22(4)46)38(60-23(5)47)40(63-31)62-27-12-10-26(11-13-27)28-15-53-29-14-30(51-8)34(52-9)36(58-21(3)45)32(29)33(28)50/h10-15,31,35,37-41H,16-18H2,1-9H3/t31-,35-,37+,38-,39+,40-,41-,42-/m1/s1
InChIKey QBNIELHCHILIGB-XWEJCIEOSA-N
Mol Weight 902.8 g/mol
Molecular Formula C42H46O22
Exact Mass 902.248073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HK8Mmfi28xi
Name QBNIELHCHILIGB-XWEJCIEOSA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46O22
InChI InChI=1S/C42H46O22/c1-19(43)55-17-42(64-25(7)49)18-56-41(39(42)61-24(6)48)54-16-31-35(57-20(2)44)37(59-22(4)46)38(60-23(5)47)40(63-31)62-27-12-10-26(11-13-27)28-15-53-29-14-30(51-8)34(52-9)36(58-21(3)45)32(29)33(28)50/h10-15,31,35,37-41H,16-18H2,1-9H3/t31-,35-,37+,38-,39+,40-,41-,42-/m1/s1
InChIKey QBNIELHCHILIGB-XWEJCIEOSA-N
Literature Reference Author L.MATHIAS,I.J.C.VIEIRA,R.BRAZ-FILHO,E.RODRIGUES-FILHO
Literature Reference Citation J.NAT.PROD.,61,1158(1998)
Literature Reference DOI 10.1021/np9800598
Molecular Weight 902.814 g/mol
Solvent CDCl3
Source File Reference UWCP2130