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Saikosaponin-B-2
SpectraBase Compound ID BdCVStlAGCx
InChI InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41+,42+/m1/s1
InChIKey WRYJYFCCMSVEPQ-KQDOLCRCSA-N
Mol Weight 781.0 g/mol
Molecular Formula C42H68O13
Exact Mass 780.465992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FzX0Vikjg7
Name Saikosaponin-B-2
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H68O13
InChI InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41+,42+/m1/s1
InChIKey WRYJYFCCMSVEPQ-KQDOLCRCSA-N
Instrument Name SF = 100 MHz
Literature Reference Chem. Pharm. Bull. 33, 3349 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5