| SpectraBase Compound ID | KOPRUmgioZ2 |
|---|---|
| InChI | InChI=1S/C27H44O10S.Mg.H2O/c1-13-5-10-27(35-12-13)14(2)19-18(36-27)11-17-15-6-9-26(31)22(29)20(28)21(37-38(32,33)34)23(30)25(26,4)16(15)7-8-24(17,19)3;;/h13-23,28-31H,5-12H2,1-4H3,(H,32,33,34);;1H2/q;+2;/p-2/t13?,14-,15+,16-,17-,18-,19-,20-,21+,22-,23+,24-,25-,26-,27-;;/m0../s1 |
| InChIKey | XRVUPOVOAPLDDI-MMJXBPJHSA-L |
| Mol Weight | 601.0 g/mol |
| Molecular Formula | C27H44MgO11S |
| Exact Mass | 600.245475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICCDc2hFRTN |
|---|---|
| Name | MAGNESIUM-NEOPENTOLOGENIN-2-BETA-YL-SULFAT,MONOHYDROXID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44MgO11S |
| InChI | InChI=1S/C27H44O10S.Mg.H2O/c1-13-5-10-27(35-12-13)14(2)19-18(36-27)11-17-15-6-9-26(31)22(29)20(28)21(37-38(32,33)34)23(30)25(26,4)16(15)7-8-24(17,19)3;;/h13-23,28-31H,5-12H2,1-4H3,(H,32,33,34);;1H2/q;+2;/p-2/t13?,14-,15+,16-,17-,18-,19-,20-,21+,22-,23+,24-,25-,26-,27-;;/m0../s1 |
| InChIKey | XRVUPOVOAPLDDI-MMJXBPJHSA-L |
| Literature Reference Author | T.KONISHI,S.KIYOSAWA,J.SHOJI |
| Literature Reference Citation | CHEM.PHARM.BULL.,32,1451(1984) |
| Literature Reference DOI | 10.1248/cpb.32.1451 |
| Molecular Weight | 601.005 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17038 |