| SpectraBase Compound ID | 24zL1JNKDHe |
|---|---|
| InChI | InChI=1S/C36H54Cl2N6O8/c1-19(2)28-32(47)39-21(4)33(48)41(8)23(6)34(49)42(9)26(18-25-15-13-12-14-16-25)31(46)40-22(5)36(51)52-24(7)29(35(50)44(28)11)43(10)27(45)17-20(3)30(37)38/h12-16,19-24,26,28-30H,17-18H2,1-11H3,(H,39,47)(H,40,46)/t20?,21-,22+,23+,24-,26-,28+,29+/m1/s1 |
| InChIKey | KCTXBLDAYCJREC-AQWYKPIYSA-N |
| Mol Weight | 769.8 g/mol |
| Molecular Formula | C36H54Cl2N6O8 |
| Exact Mass | 768.338018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9s8zMWB3zVT |
|---|---|
| Name | ITRALAMIDE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54Cl2N6O8 |
| InChI | InChI=1S/C36H54Cl2N6O8/c1-19(2)28-32(47)39-21(4)33(48)41(8)23(6)34(49)42(9)26(18-25-15-13-12-14-16-25)31(46)40-22(5)36(51)52-24(7)29(35(50)44(28)11)43(10)27(45)17-20(3)30(37)38/h12-16,19-24,26,28-30H,17-18H2,1-11H3,(H,39,47)(H,40,46)/t20?,21-,22+,23+,24-,26-,28+,29+/m1/s1 |
| InChIKey | KCTXBLDAYCJREC-AQWYKPIYSA-N |
| Literature Reference Author | J.I.JIMENEZ,T.VANSACH,W.Y.YOSHIDA,B.SAKAMOTO,P.POERZGEN,F.D. HORGEN |
| Literature Reference Citation | J.NAT.PROD.,72,1573(2009) |
| Literature Reference DOI | 10.1021/np900173d |
| Molecular Weight | 769.766 g/mol |
| Sample ID | 33458 |
| Solvent | CDCl3 |