John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=163VRjydpkt SpectraBase Spectrum ID=1e9wmokHbVV

(accessed ).
SCHIDIGERA-SAPONIN-A1;5-BETA-SPIROST-25(27)-EN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 163VRjydpkt
InChI InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23?,24?,25?,26+,27?,28-,29+,30?,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+/m0/s1
InChIKey OKXQHXAEZMQAFY-MCTGCJDISA-N
Mol Weight 871.0 g/mol
Molecular Formula C44H70O17
Exact Mass 870.461301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1e9wmokHbVV
Name SCHIDIGERA-SAPONIN-A1;5-BETA-SPIROST-25(27)-EN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O17
InChI InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23?,24?,25?,26+,27?,28-,29+,30?,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+/m0/s1
InChIKey OKXQHXAEZMQAFY-MCTGCJDISA-N
Literature Reference Author M.MIYAKOSHI,Y.TAMURA,H.MASUDA,K.MIZUTANI,O.TANAKA,T.IKEDA,K. OHTANI,R.KASAI,K.YAM
Literature Reference Citation J.NAT.PROD.,63,332(2000)
Literature Reference DOI 10.1021/np9904354
Molecular Weight 871.030 g/mol
Solvent C5D5N
Source File Reference UWVP7290
SpectraBase Batch ID A9QTrF9VUJ0