| SpectraBase Compound ID | 97FPuDOXNYb |
|---|---|
| InChI | InChI=1S/C39H64N4O8/c1-13-17-18-21-29-27(10)34(44)40-30(23(5)6)36(46)42(12)32(25(8)15-3)39(49)51-33(26(9)16-4)37(47)43-22-19-20-28(43)35(45)41(11)31(24(7)14-2)38(48)50-29/h1,23-33H,14-22H2,2-12H3,(H,40,44)/t24?,25?,26-,27+,28+,29+,30+,31+,32-,33?/m1/s1 |
| InChIKey | XKNNLKAOFMYXTB-NRKBYBMOSA-N |
| Mol Weight | 717.0 g/mol |
| Molecular Formula | C39H64N4O8 |
| Exact Mass | 716.472415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZPDYYussx0 |
|---|---|
| Name | KULOMO-OPUNALIDE-1 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64N4O8 |
| InChI | InChI=1S/C39H64N4O8/c1-13-17-18-21-29-27(10)34(44)40-30(23(5)6)36(46)42(12)32(25(8)15-3)39(49)51-33(26(9)16-4)37(47)43-22-19-20-28(43)35(45)41(11)31(24(7)14-2)38(48)50-29/h1,23-33H,14-22H2,2-12H3,(H,40,44)/t24?,25?,26-,27+,28+,29+,30+,31+,32-,33?/m1/s1 |
| InChIKey | XKNNLKAOFMYXTB-NRKBYBMOSA-N |
| Literature Reference Author | Y.NAKAO,W.Y.YOSHIDA,C.M.SZABO,B.J.BAKER,P.J.SCHEUER |
| Literature Reference Citation | J.ORG.CHEM.,63,3272(1998) |
| Literature Reference DOI | 10.1021/jo9719867 |
| Molecular Weight | 716.959 g/mol |
| Sample ID | 37376 |
| Solvent | CD3CN |