| SpectraBase Compound ID | CawXfukV4SX |
|---|---|
| InChI | InChI=1S/C40H60N8O8/c1-21(2)15-28-36(52)44-29(16-22(3)4)37(53)45-30(17-23(5)6)38(54)47-34(24(7)49)40(56)48-14-10-13-32(48)39(55)46-31(35(51)42-20-33(50)43-28)18-25-19-41-27-12-9-8-11-26(25)27/h8-9,11-12,19,21-24,28-32,34,41,49H,10,13-18,20H2,1-7H3,(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)(H,47,54)/t24?,28-,29-,30-,31-,32-,34-/m0/s1 |
| InChIKey | MUYJIBHYNYIVBX-FGAHVYQDSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C40H60N8O8 |
| Exact Mass | 780.453411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cHNwHkxBLt |
|---|---|
| Name | INTEGERRIMIDE_A;TRANS-CONFORMER;CYCLO-(-TRP-(1)-GLY-(2)-LEU-(3)-LEU-(4)-LEU-(5)-THR-(6)-PRO-(7)-) |
| Compound Number | 1-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60N8O8 |
| InChI | InChI=1S/C40H60N8O8/c1-21(2)15-28-36(52)44-29(16-22(3)4)37(53)45-30(17-23(5)6)38(54)47-34(24(7)49)40(56)48-14-10-13-32(48)39(55)46-31(35(51)42-20-33(50)43-28)18-25-19-41-27-12-9-8-11-26(25)27/h8-9,11-12,19,21-24,28-32,34,41,49H,10,13-18,20H2,1-7H3,(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)(H,47,54)/t24?,28-,29-,30-,31-,32-,34-/m0/s1 |
| InChIKey | MUYJIBHYNYIVBX-FGAHVYQDSA-N |
| Literature Reference Author | W.MONGKOLVISUT,S.SUTTHIVAIYAKIT,H.LEUTBECHER,S.MIKA,I.KLAIBE R,W.MOELLER,H.ROESNE |
| Literature Reference Citation | J.NAT.PROD.,69,1435(2006) |
| Literature Reference DOI | 10.1021/np0602012 |
| Molecular Weight | 780.965 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ15807 |