| SpectraBase Compound ID | KdXMHSYZUNN |
|---|---|
| InChI | InChI=1S/C34H58O16S.Mg.H2O/c1-15(14-47-30-25(38)24(37)23(36)21(13-35)48-30)6-11-34(46-5)16(2)22-20(49-34)12-19-17-7-10-33(42)28(40)26(39)27(50-51(43,44)45)29(41)32(33,4)18(17)8-9-31(19,22)3;;/h15-30,35-42H,6-14H2,1-5H3,(H,43,44,45);;1H2/q;+2;/p-2/t15?,16-,17+,18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30-,31-,32-,33-,34?;;/m0../s1 |
| InChIKey | KMEIWXNARDYIKG-ANHIGGINSA-L |
| Mol Weight | 795.2 g/mol |
| Molecular Formula | C34H58MgO17S |
| Exact Mass | 794.324513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6BhX34hQS9 |
|---|---|
| Name | KMEIWXNARDYIKG-ANHIGGINSA-L |
| Compound Number | 108 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H58MgO17S |
| InChI | InChI=1S/C34H58O16S.Mg.H2O/c1-15(14-47-30-25(38)24(37)23(36)21(13-35)48-30)6-11-34(46-5)16(2)22-20(49-34)12-19-17-7-10-33(42)28(40)26(39)27(50-51(43,44)45)29(41)32(33,4)18(17)8-9-31(19,22)3;;/h15-30,35-42H,6-14H2,1-5H3,(H,43,44,45);;1H2/q;+2;/p-2/t15?,16-,17+,18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30-,31-,32-,33-,34?;;/m0../s1 |
| InChIKey | KMEIWXNARDYIKG-ANHIGGINSA-L |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 795.189 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22196 |