| SpectraBase Compound ID | HKURiRD8mqu |
|---|---|
| InChI | InChI=1S/C38H58Cl2N6O8/c1-20(2)29-36(51)44(10)24(7)35(50)45(11)27(19-26-16-14-13-15-17-26)34(49)42-30(21(3)4)38(53)54-25(8)31(37(52)43(9)23(6)33(48)41-29)46(12)28(47)18-22(5)32(39)40/h13-17,20-25,27,29-32H,18-19H2,1-12H3,(H,41,48)(H,42,49)/t22?,23-,24-,25+,27+,29+,30-,31-/m0/s1 |
| InChIKey | SZZBMDKRUBNFQR-ONAOHADISA-N |
| Mol Weight | 797.8 g/mol |
| Molecular Formula | C38H58Cl2N6O8 |
| Exact Mass | 796.369318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5c3cUKhp6eu |
|---|---|
| Name | ITRALAMIDE_B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58Cl2N6O8 |
| InChI | InChI=1S/C38H58Cl2N6O8/c1-20(2)29-36(51)44(10)24(7)35(50)45(11)27(19-26-16-14-13-15-17-26)34(49)42-30(21(3)4)38(53)54-25(8)31(37(52)43(9)23(6)33(48)41-29)46(12)28(47)18-22(5)32(39)40/h13-17,20-25,27,29-32H,18-19H2,1-12H3,(H,41,48)(H,42,49)/t22?,23-,24-,25+,27+,29+,30-,31-/m0/s1 |
| InChIKey | SZZBMDKRUBNFQR-ONAOHADISA-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 | 797.820 g/mol |
| Sample ID | 33459 |
| Solvent | CDCl3 |