| SpectraBase Compound ID | FrPeNLJIDde |
|---|---|
| InChI | InChI=1S/C34H44N2O16S2/c1-17(39)35-25-21(41)13-33(31(47)48,51-29(25)27(45)23(43)15-37)53-11-3-5-19-7-9-20(10-8-19)6-4-12-54-34(32(49)50)14-22(42)26(36-18(2)40)30(52-34)28(46)24(44)16-38/h7-10,21-30,37-38,41-46H,11-16H2,1-2H3,(H,35,39)(H,36,40)(H,47,48)(H,49,50)/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,33-,34+ |
| InChIKey | UHQPNGCSUGZUMW-XFYBGMQYSA-N |
| Mol Weight | 800.8 g/mol |
| Molecular Formula | C34H44N2O16S2 |
| Exact Mass | 800.213226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ik3fxRVtc3 |
|---|---|
| Name | UHQPNGCSUGZUMW-XFYBGMQYSA-N |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44N2O16S2 |
| InChI | InChI=1S/C34H44N2O16S2/c1-17(39)35-25-21(41)13-33(31(47)48,51-29(25)27(45)23(43)15-37)53-11-3-5-19-7-9-20(10-8-19)6-4-12-54-34(32(49)50)14-22(42)26(36-18(2)40)30(52-34)28(46)24(44)16-38/h7-10,21-30,37-38,41-46H,11-16H2,1-2H3,(H,35,39)(H,36,40)(H,47,48)(H,49,50)/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,33-,34+ |
| InChIKey | UHQPNGCSUGZUMW-XFYBGMQYSA-N |
| Literature Reference Author | Z.GAN,R.ROY |
| Literature Reference Citation | CAN.J.CHEM.,80,908(2002) |
| Literature Reference DOI | 10.1139/v02-053 |
| Molecular Weight | 800.847 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU29943 |