| SpectraBase Compound ID | DQpqQkJY5Uq |
|---|---|
| InChI | InChI=1S/C43H48N4O9S2/c1-53-33-12-8-31(9-13-33)43(30-6-4-3-5-7-30,32-10-14-34(54-2)15-11-32)58-27-29-25-40(47-21-17-38(50)45-42(47)52)56-36(29)19-23-57-26-28-24-39(55-35(28)18-22-48)46-20-16-37(49)44-41(46)51/h3-17,20-21,28-29,35-36,39-40,48H,18-19,22-27H2,1-2H3,(H,44,49,51)(H,45,50,52)/t28-,29+,35-,36+,39-,40+/m0/s1 |
| InChIKey | WRRXRPGABYIGEN-DWVGMTKLSA-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 | Cp500REXTuz |
|---|---|
| Name | WRRXRPGABYIGEN-DWVGMTKLSA-N |
| Compound Number | 52 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H48N4O9S2 |
| InChI | InChI=1S/C43H48N4O9S2/c1-53-33-12-8-31(9-13-33)43(30-6-4-3-5-7-30,32-10-14-34(54-2)15-11-32)58-27-29-25-40(47-21-17-38(50)45-42(47)52)56-36(29)19-23-57-26-28-24-39(55-35(28)18-22-48)46-20-16-37(49)44-41(46)51/h3-17,20-21,28-29,35-36,39-40,48H,18-19,22-27H2,1-2H3,(H,44,49,51)(H,45,50,52)/t28-,29+,35-,36+,39-,40+/m0/s1 |
| InChIKey | WRRXRPGABYIGEN-DWVGMTKLSA-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 | UWLU26109 |