| SpectraBase Compound ID | LGqy8YSZZRO |
|---|---|
| InChI | InChI=1S/C28H35N7O8S2/c1-14-22-32-15(12-44-22)7-5-6-8-28(42,43-4)18(37)19-25(2,35-13-30-20-17(35)21(38)34-24(29)33-20)9-10-27(45-19,11-16(36)31-14)26(3,41)23(39)40/h5-8,12-14,18-19,37,41-42H,9-11H2,1-4H3,(H,31,36)(H,39,40)(H3,29,33,34,38)/b7-5-,8-6+/t14-,18-,19+,25-,26-,27-,28?/m1/s1/i4D3,42D |
| InChIKey | UELATYPYMCSEEI-OJRBMLPHSA-N |
| Mol Weight | 665.8 g/mol |
| Molecular Formula | C28H312H4N7O8S2 |
| Exact Mass | 665.22396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4KQ80hXIR7 |
|---|---|
| Name | UELATYPYMCSEEI-OJRBMLPHSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H312H4N7O8S2 |
| InChI | InChI=1S/C28H35N7O8S2/c1-14-22-32-15(12-44-22)7-5-6-8-28(42,43-4)18(37)19-25(2,35-13-30-20-17(35)21(38)34-24(29)33-20)9-10-27(45-19,11-16(36)31-14)26(3,41)23(39)40/h5-8,12-14,18-19,37,41-42H,9-11H2,1-4H3,(H,31,36)(H,39,40)(H3,29,33,34,38)/b7-5-,8-6+/t14-,18-,19+,25-,26-,27-,28?/m1/s1/i4D3,42D |
| InChIKey | UELATYPYMCSEEI-OJRBMLPHSA-N |
| Literature Reference Author | A.ASAI,M.HARA,S.KAKITA,Y.KANDA,M.YOSHIDA,H.SAITO,Y.SAITOH |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,6802(1996) |
| Literature Reference DOI | 10.1021/ja960892w |
| Molecular Weight | 665.773 g/mol |
| Sample ID | 36062 |
| Solvent | CD3OD |