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P-371-A1
SpectraBase Compound ID IOV0qcUQnbw
InChI InChI=1S/C48H66N2O20/c1-18-13-30(69-32-15-28(62-8)37(52)21(4)65-32)48(61)36-35(42(57)44(67-23(6)51)47(48,60)16-18)41(56)34-25(40(36)55)10-9-24(39(34)54)27-14-29(38(53)20(3)63-27)68-33-17-46(7,59)43(22(5)66-33)70-31-12-11-26(19(2)64-31)50-45(49)58/h9-10,13,19-22,26-33,37-38,42-44,52-54,57,59-61H,11-12,14-17H2,1-8H3,(H3,49,50,58)/t19-,20+,21-,22+,26+,27?,28+,29+,30+,31+,32-,33-,37+,38?,42+,43+,44+,46-,47+,48-/m1/s1
InChIKey XZVHWZBYXIKFDW-RLEKGVEJSA-N
Mol Weight 991.0 g/mol
Molecular Formula C48H66N2O20
Exact Mass 990.420893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJx6bKf9iI4
Name P-371-A1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H66N2O20
InChI InChI=1S/C48H66N2O20/c1-18-13-30(69-32-15-28(62-8)37(52)21(4)65-32)48(61)36-35(42(57)44(67-23(6)51)47(48,60)16-18)41(56)34-25(40(36)55)10-9-24(39(34)54)27-14-29(38(53)20(3)63-27)68-33-17-46(7,59)43(22(5)66-33)70-31-12-11-26(19(2)64-31)50-45(49)58/h9-10,13,19-22,26-33,37-38,42-44,52-54,57,59-61H,11-12,14-17H2,1-8H3,(H3,49,50,58)/t19-,20+,21-,22+,26+,27?,28+,29+,30+,31+,32-,33-,37+,38?,42+,43+,44+,46-,47+,48-/m1/s1
InChIKey XZVHWZBYXIKFDW-RLEKGVEJSA-N
Literature Reference Author S.UESATO,T.TOKUNAGA,Y.MIZUNO,H.FUJIOKA,S.KADA,H.KUWAJIMA
Literature Reference Citation J.NAT.PROD.,63,787(2000)
Literature Reference DOI 10.1021/np990533p
Molecular Weight 991.053 g/mol
Solvent CDCl3
Source File Reference UWRU8250