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HYDROXYSAIKOSAPONIN-D;DE-11-O-METHYLSAIKOSAPONIN-B(4)
SpectraBase Compound ID IEe9Jmp9Kxr
InChI InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22?,23-,24-,25?,26-,27+,28+,29-,30+,31-,32-,33+,34?,35+,36+,38+,39+,40-,41-,42-/m1/s1
InChIKey WBZUTWKOBMHGCT-LGOAVQJZSA-N
Mol Weight 799.0 g/mol
Molecular Formula C42H70O14
Exact Mass 798.476557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyyxHM97mbA
Name HYDROXYSAIKOSAPONIN-D;DE-11-O-METHYLSAIKOSAPONIN-B(4)
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H70O14
InChI InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22?,23-,24-,25?,26-,27+,28+,29-,30+,31-,32-,33+,34?,35+,36+,38+,39+,40-,41-,42-/m1/s1
InChIKey WBZUTWKOBMHGCT-LGOAVQJZSA-N
Literature Reference Author N.EBATA,K.NAKAJIMA,K.HAYASHI,M.OKADA,M.MARUNO
Literature Reference Citation PHYTOCHEM.,41,895(1996)
Literature Reference DOI 10.1016/0031-9422(95)00720-2
Molecular Weight 799.009 g/mol
Solvent CD3OD
Source File Reference UWLU4129