| SpectraBase Compound ID | 7Qe1pn3Ck07 |
|---|---|
| InChI | InChI=1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,27-/m0/s1 |
| InChIKey | DUKFQTJTBSIGQL-ALWUMSJFSA-N |
| Mol Weight | 676.7 g/mol |
| Molecular Formula | C27H40N4O14S |
| Exact Mass | 676.226173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H10AZhsksR0 |
|---|---|
| Name | MYCOTHIOL-BIMANE-(1-D-MYO-INOSITYL-2-DEOXY-2-(N-ACETAMIDO-L-CYSTEINAMIDO)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40N4O14S |
| InChI | InChI=1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,27-/m0/s1 |
| InChIKey | DUKFQTJTBSIGQL-ALWUMSJFSA-N |
| Literature Reference Author | G.M.NICHOLAS,P.KOVAC,C.A.BEWLEY |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,3492(2002) |
| Literature Reference DOI | 10.1021/ja017891a |
| Molecular Weight | 676.693 g/mol |
| Sample ID | 33615 |
| Solvent | D2O |