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25(S)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID LX6DvixMbRP
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(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)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+/m0/s1
InChIKey KCJCMMKXYAIXFR-OCJUACGESA-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 HtxQQU0fys5
Name 25(S)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 1B
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(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)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+/m0/s1
InChIKey KCJCMMKXYAIXFR-OCJUACGESA-N
Literature Reference Author H.J.ZHANG,K.SYDARA,G.T.TAN,C.MA,B.SOUTHAVONG,D.D.SOEJARTO,J. M.PEZZUTO,H.H.S.FONG
Literature Reference Citation J.NAT.PROD.,67,194(2004)
Literature Reference DOI 10.1021/np030370b
Molecular Weight 873.045 g/mol
Solvent PYRIDINE-D5
Source File Reference UWKP3703