| SpectraBase Compound ID | 826SWMEwrMs |
|---|---|
| InChI | InChI=1S/C31H36N2O9S2/c1-7-15(2)24(35)16(3)25(36)17(4)27(38)42-21-11-12-41-14-18-13-30(43-5)28(39)33-23-19(9-8-10-20(23)34)26(37)31(33,44-6)29(40)32(30)22(18)21/h7-12,14,16-17,21-22,25-26,34,36-37H,13H2,1-6H3/b15-7+/t16?,17?,21-,22-,25?,26+,30+,31+/m0/s1 |
| InChIKey | NUNCDQJROUUESZ-UBQWZBIISA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C31H36N2O9S2 |
| Exact Mass | 644.186223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x2pBQz1ZO7 |
|---|---|
| Name | NUNCDQJROUUESZ-UBQWZBIISA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36N2O9S2 |
| InChI | InChI=1S/C31H36N2O9S2/c1-7-15(2)24(35)16(3)25(36)17(4)27(38)42-21-11-12-41-14-18-13-30(43-5)28(39)33-23-19(9-8-10-20(23)34)26(37)31(33,44-6)29(40)32(30)22(18)21/h7-12,14,16-17,21-22,25-26,34,36-37H,13H2,1-6H3/b15-7+/t16?,17?,21-,22-,25?,26+,30+,31+/m0/s1 |
| InChIKey | NUNCDQJROUUESZ-UBQWZBIISA-N |
| Literature Reference Author | M.CHINWORRUNGSEE,P.KITTAKOOP,J.SAENBOONRUENG,P.KONGSAEREE,Y. THEBTARANONTH |
| Literature Reference Citation | J.NAT.PROD.,69,1404(2006) |
| Literature Reference DOI | 10.1021/np0601197 |
| Molecular Weight | 644.755 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ15756 |