| SpectraBase Compound ID | D6GZATlfjlR |
|---|---|
| InChI | InChI=1S/C51H57N9O6S3/c61-43(28-34-16-4-1-5-17-34)52-25-13-10-22-37-49-58-41(31-67-49)47(65)56-39(24-12-15-27-54-45(63)30-36-20-8-3-9-21-36)51-60-42(33-69-51)48(66)57-38(50-59-40(32-68-50)46(64)55-37)23-11-14-26-53-44(62)29-35-18-6-2-7-19-35/h1-9,16-21,31-33,37-39H,10-15,22-30H2,(H,52,61)(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)/t37-,38-,39-/m1/s1 |
| InChIKey | QNHLOLWRYJXOEQ-CCUSMBMVSA-N |
| Mol Weight | 988.3 g/mol |
| Molecular Formula | C51H57N9O6S3 |
| Exact Mass | 987.359394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3y3qnPJq8Za |
|---|---|
| Name | QNHLOLWRYJXOEQ-CCUSMBMVSA-N |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H57N9O6S3 |
| InChI | InChI=1S/C51H57N9O6S3/c61-43(28-34-16-4-1-5-17-34)52-25-13-10-22-37-49-58-41(31-67-49)47(65)56-39(24-12-15-27-54-45(63)30-36-20-8-3-9-21-36)51-60-42(33-69-51)48(66)57-38(50-59-40(32-68-50)46(64)55-37)23-11-14-26-53-44(62)29-35-18-6-2-7-19-35/h1-9,16-21,31-33,37-39H,10-15,22-30H2,(H,52,61)(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)/t37-,38-,39-/m1/s1 |
| InChIKey | QNHLOLWRYJXOEQ-CCUSMBMVSA-N |
| Literature Reference Author | Y.SINGH,N.SOKOLENKO,M.J.KELSO,L.R.GAHAN,G.ABBENANTE,D.P.FAIR LIE |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,333(2001) |
| Literature Reference DOI | 10.1021/ja002666z |
| Molecular Weight | 988.250 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN28578 |