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SPINOSIDE-C1;3-ALPHA,29-DIHYDROXY-OLEAN-12-ENE-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 5xGDhFg3ypB
InChI InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-44(4,21-50)18-24(48)23-8-9-28-45(5)12-11-29(51)43(2,3)27(45)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,44-,45+,46-,47-,48+/m1/s1
InChIKey QMIBWALTTZKWNN-RYPPPQEDSA-N
Mol Weight 943.1 g/mol
Molecular Formula C48H78O18
Exact Mass 942.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1H6lTxB9HQc
Name SPINOSIDE-C1;3-ALPHA,29-DIHYDROXY-OLEAN-12-ENE-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O18
InChI InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-44(4,21-50)18-24(48)23-8-9-28-45(5)12-11-29(51)43(2,3)27(45)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,44-,45+,46-,47-,48+/m1/s1
InChIKey QMIBWALTTZKWNN-RYPPPQEDSA-N
Literature Reference Author M.MIYAKOSHI,Y.IDA,S.ISODA,J.SHOJI
Literature Reference Citation PHYTOCHEM.,34,1599(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90853-7
Molecular Weight 943.137 g/mol
Solvent C5D5N
Source File Reference UWLU20783