| SpectraBase Compound ID | ICSHvk9p05J |
|---|---|
| InChI | InChI=1S/C38H61NO10/c1-19-6-9-27-20(2)26(16-39(27)15-19)37(4)13-11-25-24(21(37)3)8-7-22-14-23(10-12-38(22,25)5)47-35-33(44)31(42)29(18-46-35)49-36-34(45)32(43)30(41)28(17-40)48-36/h7,19-20,23-36,40-45H,3,6,8-18H2,1-2,4-5H3/t19-,20-,23+,24?,25?,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m1/s1 |
| InChIKey | MVIMTYCISJUVBE-ZHOJUPBPSA-N |
| Mol Weight | 691.9 g/mol |
| Molecular Formula | C38H61NO10 |
| Exact Mass | 691.429547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I23AaEtvWDa |
|---|---|
| Name | 15,16-SECO-22-ALPHA-H-25-BETA-H-SOLANIDA-5,14-DIEN-3-BETA-OL-O-BETA-D-GLUCOPYRANOSIDE-(1->4)-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H61NO10 |
| InChI | InChI=1S/C38H61NO10/c1-19-6-9-27-20(2)26(16-39(27)15-19)37(4)13-11-25-24(21(37)3)8-7-22-14-23(10-12-38(22,25)5)47-35-33(44)31(42)29(18-46-35)49-36-34(45)32(43)30(41)28(17-40)48-36/h7,19-20,23-36,40-45H,3,6,8-18H2,1-2,4-5H3/t19-,20-,23+,24?,25?,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m1/s1 |
| InChIKey | MVIMTYCISJUVBE-ZHOJUPBPSA-N |
| Literature Reference Author | Z.Z.QIAN,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,40,979(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00323-Y |
| Molecular Weight | 691.903 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2268 |