| SpectraBase Compound ID | 5xLidPzRgZl |
|---|---|
| InChI | InChI=1S/C48H70N6O10/c1-12-13-15-24-36-48(9,10)47(62)51-38(29(4)5)44(59)52(11)39(30(6)7)46(61)63-31(8)42(57)54-26-19-23-35(54)43(58)53-25-18-22-34(53)40(55)50-37(28(2)3)41(56)49-33(45(60)64-36)27-32-20-16-14-17-21-32/h1,14,16-17,20-21,28-31,33-39H,13,15,18-19,22-27H2,2-11H3,(H,49,56)(H,50,55)(H,51,62)/t31-,33-,34-,35-,36-,37-,38-,39+/m0/s1 |
| InChIKey | VFAWODJDLPZXDS-YHCWVYRESA-N |
| Mol Weight | 891.1 g/mol |
| Molecular Formula | C48H70N6O10 |
| Exact Mass | 890.515342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XxGV6OPa2Z |
|---|---|
| Name | KULOKAINALIDE-1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H70N6O10 |
| InChI | InChI=1S/C48H70N6O10/c1-12-13-15-24-36-48(9,10)47(62)51-38(29(4)5)44(59)52(11)39(30(6)7)46(61)63-31(8)42(57)54-26-19-23-35(54)43(58)53-25-18-22-34(53)40(55)50-37(28(2)3)41(56)49-33(45(60)64-36)27-32-20-16-14-17-21-32/h1,14,16-17,20-21,28-31,33-39H,13,15,18-19,22-27H2,2-11H3,(H,49,56)(H,50,55)(H,51,62)/t31-,33-,34-,35-,36-,37-,38-,39+/m0/s1 |
| InChIKey | VFAWODJDLPZXDS-YHCWVYRESA-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 | 891.118 g/mol |
| Sample ID | 37375 |
| Solvent | CD2Cl2 |