| SpectraBase Compound ID | 5ytpY5XRd1f |
|---|---|
| InChI | InChI=1S/C43H70N8O7S2/c1-11-25(7)33-40(55)47-30(37(52)45-21-20-29-18-16-15-17-19-29)22-59-60-23-31(46-39(54)32(44)24(5)6)38(53)48-34(26(8)12-2)41(56)50-36(28(10)14-4)43(58)51-35(27(9)13-3)42(57)49-33/h15-21,24-28,30-36H,11-14,22-23,44H2,1-10H3,(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,56)(H,51,58)/b21-20+/t25?,26?,27?,28?,30-,31-,32+,33+,34-,35-,36+/m0/s1 |
| InChIKey | KAIYBVUCMOTXEJ-PWOFDTITSA-N |
| Mol Weight | 875.2 g/mol |
| Molecular Formula | C43H70N8O7S2 |
| Exact Mass | 874.480889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bfvo3Lw3A5b |
|---|---|
| Name | MICROCIONAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70N8O7S2 |
| InChI | InChI=1S/C43H70N8O7S2/c1-11-25(7)33-40(55)47-30(37(52)45-21-20-29-18-16-15-17-19-29)22-59-60-23-31(46-39(54)32(44)24(5)6)38(53)48-34(26(8)12-2)41(56)50-36(28(10)14-4)43(58)51-35(27(9)13-3)42(57)49-33/h15-21,24-28,30-36H,11-14,22-23,44H2,1-10H3,(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,56)(H,51,58)/b21-20+/t25?,26?,27?,28?,30-,31-,32+,33+,34-,35-,36+/m0/s1 |
| InChIKey | KAIYBVUCMOTXEJ-PWOFDTITSA-N |
| Literature Reference Author | R.A.DAVIS,G.C.MANGALINDAN,Z.P.BOJO,R.R.ANTEMANO,N.O.RODRIGUE Z,G.P.CONCEPCION,S.C |
| Literature Reference Citation | J.ORG.CHEM.,69,4170(2004) |
| Literature Reference DOI | 10.1021/jo040129h |
| Molecular Weight | 875.198 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN21673 |