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Solamargine
SpectraBase Compound ID I5udCuVfGcq
InChI InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1
InChIKey MBWUSSKCCUMJHO-OKJXOJKZSA-N
Mol Weight 868.1 g/mol
Molecular Formula C45H73NO15
Exact Mass 867.498021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUPcC3KY3RR
Name SOLAMARGINE;(25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYLOXY]-22-ALPHA-N-SPIROSOL-5-ENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H73NO15
InChI InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1
InChIKey MBWUSSKCCUMJHO-OKJXOJKZSA-N
Literature Reference Author A.USUBILLAGA,I.AZIZ,M.C.TETTAMANZI,R.WAIBEL,H.ACHENBACH
Literature Reference Citation PHYTOCHEM.,44,537(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00586-9
Molecular Weight 868.072 g/mol
Solvent C5D5N
Source File Reference UWPA170