John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7EOAnV59djw SpectraBase Spectrum ID=2vbxjAhoIC4

(accessed ).
2''-O-ACETYLSAIKOSAPONIN-D
SpectraBase Compound ID 7EOAnV59djw
InChI InChI=1S/C44H70O14/c1-22-30(49)34(58-37-35(55-23(2)47)32(51)31(50)24(19-45)56-37)33(52)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25?,26?,27?,28+,29+,30+,31-,32+,33-,34+,35-,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1
InChIKey SRKDRDBFLMDBPW-KYCGYTERSA-N
Mol Weight 823.0 g/mol
Molecular Formula C44H70O14
Exact Mass 822.476558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vbxjAhoIC4
Name 2''-O-ACETYLSAIKOSAPONIN-D
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O14
InChI InChI=1S/C44H70O14/c1-22-30(49)34(58-37-35(55-23(2)47)32(51)31(50)24(19-45)56-37)33(52)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25?,26?,27?,28+,29+,30+,31-,32+,33-,34+,35-,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1
InChIKey SRKDRDBFLMDBPW-KYCGYTERSA-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 823.031 g/mol
Solvent CD3OD
Source File Reference UWLU4123
SpectraBase Batch ID J8sohQaxfCM