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25(R)-SCHIDIGERA-SAPONIN-D1;25(R)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSI
SpectraBase Compound ID BUZRfIaNQOU
InChI InChI=1S/C44H72O17/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/h19-41,45-53H,5-18H2,1-4H3/t19-,20+,21-,22+,23?,24?,25?,26-,27?,28+,29-,30?,31+,32+,33-,34-,35-,36+,37+,38-,39+,40-,41-,42+,43+,44-/m1/s1
InChIKey ZAZNQYAHJWQLHA-OQFKUKOLSA-N
Mol Weight 873.0 g/mol
Molecular Formula C44H72O17
Exact Mass 872.476951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTFc3wHUttP
Name 25(R)-SCHIDIGERA-SAPONIN-D1;25(R)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSI
Compound Number 7R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H72O17
InChI InChI=1S/C44H72O17/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/h19-41,45-53H,5-18H2,1-4H3/t19-,20+,21-,22+,23?,24?,25?,26-,27?,28+,29-,30?,31+,32+,33-,34-,35-,36+,37+,38-,39+,40-,41-,42+,43+,44-/m1/s1
InChIKey ZAZNQYAHJWQLHA-OQFKUKOLSA-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 873.045 g/mol
Solvent C5D5N
Source File Reference UWVP7296