| SpectraBase Compound ID | 7Yw4fKIV5cG |
|---|---|
| InChI | InChI=1S/C74H95Br2N16O26/c1-34(8-9-36-10-14-39(75)15-11-36)20-52(98)43-27-57(102)82-50(30-93)69(112)87-49-29-91-28-41(92(33-91)73-62(105)60(103)53(32-95)118-73)23-46(66(109)89-58(35(2)96)71(114)88-51(31-94)70(113)84-45(65(108)83-43)21-37-6-4-3-5-7-37)80-56(101)25-42(97)24-48(74(116)117)81-55(100)18-19-79-64(107)44(22-38-12-16-40(76)17-13-38)86-72(115)59(61(104)63(78)106)90-67(110)47(26-54(77)99)85-68(49)111/h3-17,20,28,33,35,42-53,58-62,73,93-98,103-105H,18-19,21-27,29-32H2,1-2H3,(H2,77,99)(H2,78,106)(H,79,107)(H,80,101)(H,81,100)(H,82,102)(H,83,108)(H,84,113)(H,85,111)(H,86,115)(H,87,112)(H,88,114)(H,89,109)(H,90,110)(H,116,117)/b9-8+,34-20+/t35-,42-,43+,44+,45+,46+,47+,48+,49-,50+,51+,52+,53?,58+,59+,60?,61-,62?,73?/m1/s1 |
| InChIKey | XVMAATXGHMAQKC-OWAHTZLTSA-N |
| Mol Weight | 1784.5 g/mol |
| Molecular Formula | C74H95Br2N16O26 |
| Exact Mass | 1781.497018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFlxl5zwXay |
|---|---|
| Name | THEONELLAMIDE-D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H95Br2N16O26 |
| InChI | InChI=1S/C74H95Br2N16O26/c1-34(8-9-36-10-14-39(75)15-11-36)20-52(98)43-27-57(102)82-50(30-93)69(112)87-49-29-91-28-41(92(33-91)73-62(105)60(103)53(32-95)118-73)23-46(66(109)89-58(35(2)96)71(114)88-51(31-94)70(113)84-45(65(108)83-43)21-37-6-4-3-5-7-37)80-56(101)25-42(97)24-48(74(116)117)81-55(100)18-19-79-64(107)44(22-38-12-16-40(76)17-13-38)86-72(115)59(61(104)63(78)106)90-67(110)47(26-54(77)99)85-68(49)111/h3-17,20,28,33,35,42-53,58-62,73,93-98,103-105H,18-19,21-27,29-32H2,1-2H3,(H2,77,99)(H2,78,106)(H,79,107)(H,80,101)(H,81,100)(H,82,102)(H,83,108)(H,84,113)(H,85,111)(H,86,115)(H,87,112)(H,88,114)(H,89,109)(H,90,110)(H,116,117)/b9-8+,34-20+/t35-,42-,43+,44+,45+,46+,47+,48+,49-,50+,51+,52+,53?,58+,59+,60?,61-,62?,73?/m1/s1 |
| InChIKey | XVMAATXGHMAQKC-OWAHTZLTSA-N |
| Literature Reference Author | S.MATSUNAGA,N.FUSETANI |
| Literature Reference Citation | J.ORG.CHEM.,60,1177(1995) |
| Literature Reference DOI | 10.1021/jo00110a020 |
| Molecular Weight | 1784.468 g/mol |
| Solvent | DMSO-D6:H2O=4:1 |
| Source File Reference | UWRU3359 |