| SpectraBase Compound ID | BKccdbIWlk9 |
|---|---|
| InChI | InChI=1S/C69H86Br2N16O22/c1-33(8-9-35-10-14-38(70)15-11-35)20-51(92)42-27-55(96)78-49(30-88)65(104)83-48-29-87-28-40(75-32-87)23-45(62(101)85-56(34(2)90)67(106)84-50(31-89)66(105)80-44(61(100)79-42)21-36-6-4-3-5-7-36)76-54(95)25-41(91)24-47(69(108)109)77-53(94)18-19-74-60(99)43(22-37-12-16-39(71)17-13-37)82-68(107)57(58(97)59(73)98)86-63(102)46(26-52(72)93)81-64(48)103/h3-17,20,28,32,34,41-51,56-58,88-92,97H,18-19,21-27,29-31H2,1-2H3,(H2,72,93)(H2,73,98)(H,74,99)(H,76,95)(H,77,94)(H,78,96)(H,79,100)(H,80,105)(H,81,103)(H,82,107)(H,83,104)(H,84,106)(H,85,101)(H,86,102)(H,108,109)/b9-8+,33-20+/t34-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,56+,57+,58-/m1/s1 |
| InChIKey | DAIPMSNAEZFUGV-JALNRGRLSA-N |
| Mol Weight | 1651.3 g/mol |
| Molecular Formula | C69H86Br2N16O22 |
| Exact Mass | 1648.446934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPYBzIh5Dta |
|---|---|
| Name | THEONELLAMIDE-F |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H86Br2N16O22 |
| InChI | InChI=1S/C69H86Br2N16O22/c1-33(8-9-35-10-14-38(70)15-11-35)20-51(92)42-27-55(96)78-49(30-88)65(104)83-48-29-87-28-40(75-32-87)23-45(62(101)85-56(34(2)90)67(106)84-50(31-89)66(105)80-44(61(100)79-42)21-36-6-4-3-5-7-36)76-54(95)25-41(91)24-47(69(108)109)77-53(94)18-19-74-60(99)43(22-37-12-16-39(71)17-13-37)82-68(107)57(58(97)59(73)98)86-63(102)46(26-52(72)93)81-64(48)103/h3-17,20,28,32,34,41-51,56-58,88-92,97H,18-19,21-27,29-31H2,1-2H3,(H2,72,93)(H2,73,98)(H,74,99)(H,76,95)(H,77,94)(H,78,96)(H,79,100)(H,80,105)(H,81,103)(H,82,107)(H,83,104)(H,84,106)(H,85,101)(H,86,102)(H,108,109)/b9-8+,33-20+/t34-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,56+,57+,58-/m1/s1 |
| InChIKey | DAIPMSNAEZFUGV-JALNRGRLSA-N |
| Literature Reference Author | S.MATSUNAGA,N.FUSETANI,K.HASHIMOTO,M.WAELCHLI |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,2582(1989) |
| Literature Reference DOI | 10.1021/ja00189a035 |
| Molecular Weight | 1651.344 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS13036 |