| SpectraBase Compound ID | DDcgbyFPkp9 |
|---|---|
| InChI | InChI=1S/C30H40N2O7S/c1-18-9-8-12-30(3)14-25-21(13-23(18)30)22(28(35)39-25)16-40-17-24(26(33)31-19(2)27(34)37-4)32-29(36)38-15-20-10-6-5-7-11-20/h5-7,10-11,13,18-19,21-22,24-25H,8-9,12,14-17H2,1-4H3,(H,31,33)(H,32,36)/t18-,19?,21?,22?,24?,25?,30+/m1/s1 |
| InChIKey | YUKNZVXOUVLQIU-KQKDVCEFSA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C30H40N2O7S |
| Exact Mass | 572.255623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKlLltU51rA |
|---|---|
| Name | YUKNZVXOUVLQIU-KQKDVCEFSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40N2O7S |
| InChI | InChI=1S/C30H40N2O7S/c1-18-9-8-12-30(3)14-25-21(13-23(18)30)22(28(35)39-25)16-40-17-24(26(33)31-19(2)27(34)37-4)32-29(36)38-15-20-10-6-5-7-11-20/h5-7,10-11,13,18-19,21-22,24-25H,8-9,12,14-17H2,1-4H3,(H,31,33)(H,32,36)/t18-,19?,21?,22?,24?,25?,30+/m1/s1 |
| InChIKey | YUKNZVXOUVLQIU-KQKDVCEFSA-N |
| Literature Reference Author | M.GINANNESCHI,M.CHELLI,A.M.PAPINI,D.PINZANI,G.RAPI |
| Literature Reference Citation | MAGN.RES.CHEM.,34,95(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199602)34:2<95::aid-omr855>3.0.co;2-v |
| Molecular Weight | 572.717 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP2319 |