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(3-BETA,22-ALPHA,25R)-26-(BETA-D-GLUCOPYRANOSYLOXY)-22-METHOXYFUROST-5-EN-3-YL-O-D-APIO-BETA-D-FURANOSYL-(1->2)-O-[6-DEOXY-ALPHA-L-RHAMNOPYRANOSYL-
SpectraBase Compound ID HgqYChXclCU
InChI InChI=1S/C51H84O22/c1-22(19-65-44-38(59)37(58)35(56)31(17-52)69-44)9-14-51(64-6)23(2)33-30(73-51)16-29-27-8-7-25-15-26(10-12-48(25,4)28(27)11-13-49(29,33)5)68-46-42(72-47-43(62)50(63,20-54)21-66-47)40(61)41(32(18-53)70-46)71-45-39(60)36(57)34(55)24(3)67-45/h7,22-24,26-47,52-63H,8-21H2,1-6H3/t22-,23+,24+,26+,27?,28?,29?,30?,31+,32-,33?,34+,35+,36-,37-,38+,39-,40+,41-,42-,43+,44+,45+,46-,47+,48+,49+,50-,51-/m1/s1
InChIKey MPXAJPPBLMNCEL-DAIOUBMHSA-N
Mol Weight 1049.2 g/mol
Molecular Formula C51H84O22
Exact Mass 1048.545424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lih8Fiq4y0k
Name (3-BETA,22-ALPHA,25R)-26-(BETA-D-GLUCOPYRANOSYLOXY)-22-METHOXYFUROST-5-EN-3-YL-O-D-APIO-BETA-D-FURANOSYL-(1->2)-O-[6-DEOXY-ALPHA-L-RHAMNOPYRANOSYL-
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H84O22
InChI InChI=1S/C51H84O22/c1-22(19-65-44-38(59)37(58)35(56)31(17-52)69-44)9-14-51(64-6)23(2)33-30(73-51)16-29-27-8-7-25-15-26(10-12-48(25,4)28(27)11-13-49(29,33)5)68-46-42(72-47-43(62)50(63,20-54)21-66-47)40(61)41(32(18-53)70-46)71-45-39(60)36(57)34(55)24(3)67-45/h7,22-24,26-47,52-63H,8-21H2,1-6H3/t22-,23+,24+,26+,27?,28?,29?,30?,31+,32-,33?,34+,35+,36-,37-,38+,39-,40+,41-,42-,43+,44+,45+,46-,47+,48+,49+,50-,51-/m1/s1
InChIKey MPXAJPPBLMNCEL-DAIOUBMHSA-N
Literature Reference Author B.P.D.SILVA,R.R.BERNARDO,J.P.PARENTE
Literature Reference Citation PHYTOCHEM.,51,931(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00077-1
Molecular Weight 1049.215 g/mol
Solvent C5D5N
Source File Reference UWVN919