| SpectraBase Compound ID | 3PuwwavoCqt |
|---|---|
| InChI | InChI=1S/C43H48N4O9S2/c1-52-33-12-8-31(9-13-33)43(30-6-4-3-5-7-30,32-10-14-34(53-2)15-11-32)54-22-18-35-29(25-40(55-35)47-21-17-38(49)45-42(47)51)27-58-23-19-36-28(26-57)24-39(56-36)46-20-16-37(48)44-41(46)50/h3-17,20-21,28-29,35-36,39-40,57H,18-19,22-27H2,1-2H3,(H,44,48,50)(H,45,49,51)/t28-,29+,35+,36-,39-,40+/m0/s1 |
| InChIKey | YSOFLHBMWYIDSS-UQGNZJOISA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C43H48N4O9S2 |
| Exact Mass | 828.286271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SHD7sU0FgL |
|---|---|
| Name | YSOFLHBMWYIDSS-UQGNZJOISA-N |
| Compound Number | 57 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H48N4O9S2 |
| InChI | InChI=1S/C43H48N4O9S2/c1-52-33-12-8-31(9-13-33)43(30-6-4-3-5-7-30,32-10-14-34(53-2)15-11-32)54-22-18-35-29(25-40(55-35)47-21-17-38(49)45-42(47)51)27-58-23-19-36-28(26-57)24-39(56-36)46-20-16-37(48)44-41(46)50/h3-17,20-21,28-29,35-36,39-40,57H,18-19,22-27H2,1-2H3,(H,44,48,50)(H,45,49,51)/t28-,29+,35+,36-,39-,40+/m0/s1 |
| InChIKey | YSOFLHBMWYIDSS-UQGNZJOISA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 828.996 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26107 |