John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=11aW9H70j7O SpectraBase Spectrum ID=2SHRuTC6i2M

(accessed ).
Saikosaponin-B-2
SpectraBase Compound ID 11aW9H70j7O
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-WVKLOLBYSA-N
Mol Weight 781.0 g/mol
Molecular Formula C42H68O13
Exact Mass 780.465993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SHRuTC6i2M
Name SAIKOSAPONIN-B-2
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-WVKLOLBYSA-N
Literature Reference Author K.SHIMIZU,S.AMAGAYA,Y.OGIHARA
Literature Reference Citation CHEM.PHARM.BULL.,33,3349(1985)
Literature Reference DOI 10.1248/cpb.33.3349
Molecular Weight 780.994 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK152
SpectraBase Batch ID BVpAZ5t8ZmE