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Chikusetsaponin iv-A
SpectraBase Compound ID 8awN1jG80SR
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22?,23?,24?,25?,26?,27?,28-,29+,30?,31-,32+,34?,35+,39?,40?,41?,42?/m1/s1
InChIKey YOSRLTNUOCHBEA-UHXISHDFSA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5StpxDNGaqU
Name Chikusetsaponin iv-A
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H66O14
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22?,23?,24?,25?,26?,27?,28-,29+,30?,31-,32+,34?,35+,39?,40?,41?,42?/m1/s1
InChIKey YOSRLTNUOCHBEA-UHXISHDFSA-N
Instrument Name Jeol PFT-100
Literature Reference R.L. Nie, T. Morita, Planta Medica 50, 322 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5