| SpectraBase Compound ID | GVrgCLvP3O9 |
|---|---|
| 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-/m1/s1 |
| InChIKey | MBWUSSKCCUMJHO-ZGXDEBHDSA-N |
| Mol Weight | 868.1 g/mol |
| Molecular Formula | C45H73NO15 |
| Exact Mass | 867.498021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSdCIRdVpMS |
|---|---|
| Name | SOLAMARGINE=(O-ALPHA-L-RHAMNOSYL-(1->4)-O-ALPHA-L-RHAMNOSYL-(1->2)-O-3-BETA-D-GLUCOPYRANOSYL-SOLASODINE) |
| 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-/m1/s1 |
| InChIKey | MBWUSSKCCUMJHO-ZGXDEBHDSA-N |
| Literature Reference Author | S.B.MAHATO,N.P.SAHU,A.N.GANGULY,R.KASAI,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,19,2017(1980) |
| Literature Reference DOI | 10.1016/0031-9422(80)83026-3 |
| Molecular Weight | 868.072 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17296 |