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6''-O-ACETYLSAIKOSAPONIN-A
SpectraBase Compound ID Gn4STm21FXk
InChI InChI=1S/C44H70O14/c1-22-30(48)35(58-36-33(51)32(50)31(49)24(56-36)19-53-23(2)46)34(52)37(55-22)57-29-11-12-39(5)25(40(29,6)20-45)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-54-44)28(47)18-42(41,44)8/h10,14,22,24-37,45,47-52H,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 WDWZBAMDKXKRBA-ZZTVEKAXSA-N
Mol Weight 823.0 g/mol
Molecular Formula C44H70O14
Exact Mass 822.476557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADH3CPnlYGX
Name 6''-O-ACETYLSAIKOSAPONIN-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O14
InChI InChI=1S/C44H70O14/c1-22-30(48)35(58-36-33(51)32(50)31(49)24(56-36)19-53-23(2)46)34(52)37(55-22)57-29-11-12-39(5)25(40(29,6)20-45)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-54-44)28(47)18-42(41,44)8/h10,14,22,24-37,45,47-52H,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 WDWZBAMDKXKRBA-ZZTVEKAXSA-N
Literature Reference Author J.-K.DING,H.FUJINO,R.KASAI,N.FUJIMOTO,O.TANAKA,J.ZHOU,H.MATS UURA,T.FUWA
Literature Reference Citation CHEM.PHARM.BULL.,34,1158(1986)
Literature Reference DOI 10.1248/cpb.34.1158
Molecular Weight 823.031 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK168