Wiley SpectraBase; SpectraBase Compound ID=1Q4AUqR0uU SpectraBase Spectrum ID=Elh3TxtMAx2
http://spectrabase.com/spectrum/Elh3TxtMAx2 (accessed Oct 24, 2020).

SAPONIN_4
SpectraBase Compound ID 1Q4AUqR0uU
InChI InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23-,24-,25?,26?,27?,28-,29-,30+,31+,32-,33-,34?,35+,38+,39-,40-,41-,42?/m1/s1
InChIKey WCMJLEULXWUCRF-BLNGNUTMSA-N
Mol Weight 797 g/mol
Molecular Formula C42H68O14
Exact Mass 796.460907 g/mol

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SpectraBase Spectrum ID Elh3TxtMAx2
SpectraBase Batch ID Eu6QurjsUhe
Name SAPONIN_4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O14
InChI InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23-,24-,25?,26?,27?,28-,29-,30+,31+,32-,33-,34?,35+,38+,39-,40-,41-,42?/m1/s1
InChIKey WCMJLEULXWUCRF-BLNGNUTMSA-N
Literature Reference Author H.M.ZHONG,C.X.CHEN,X.TIAN,Y.X.CHUI,Y.Z.CHEN
Literature Reference Citation PLANTA.MED.,67,484(2001)
Literature Reference DOI 10.1055/s-2001-15803
Molecular Weight 796.994 g/mol
Solvent C5D5N
Source File Reference UIAP1577
SpectraBase Compound ID 1Q4AUqR0uU