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SAMBACOSIDE_A
SpectraBase Compound ID 8zveRQcy40d
InChI InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3/b26-8+,27-9+,28-10+/t24-,25+,29+,30+,31+,32+,33-,37-,38+,39+,40+,44+,45+,46+,47-,48-,49-,50+,51+,52+,56+,57+,58+,59-,60-,61-/m1/s1
InChIKey PCMFSBCRKKRDDK-XJOMSRRVSA-N
Mol Weight 1363.3 g/mol
Molecular Formula C61H86O34
Exact Mass 1362.50005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hky6a0fFim5
Name SAMBACOSIDE_A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H86O34
InChI InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3/b26-8+,27-9+,28-10+/t24-,25+,29+,30+,31+,32+,33-,37-,38+,39+,40+,44+,45+,46+,47-,48-,49-,50+,51+,52+,56+,57+,58+,59-,60-,61-/m1/s1
InChIKey PCMFSBCRKKRDDK-XJOMSRRVSA-N
Literature Reference Author B.SOMANADHAN,U.WAGNER_SMITT,V.GEORGE,P.PUSHPANGADAN,S.RAJASE KHARAN,J.DUUS
Literature Reference Citation PLANTA.MED.,64,246(1998)
Literature Reference DOI 10.1055/s-2006-957419
Molecular Weight 1363.333 g/mol
Solvent D2O
Source File Reference UIAP1129