| SpectraBase Compound ID | JJMIAdN0PVA |
|---|---|
| InChI | InChI=1S/C39H58N8O8/c1-20(2)15-27-35(51)43-28(16-21(3)4)36(52)46-32(22(5)6)38(54)45-30(19-48)39(55)47-14-10-13-31(47)37(53)44-29(34(50)41-23(7)33(49)42-27)17-24-18-40-26-12-9-8-11-25(24)26/h8-9,11-12,18,20-23,27-32,40,48H,10,13-17,19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)(H,44,53)(H,45,54)(H,46,52)/t23-,27-,28-,29-,30-,31-,32-/m0/s1 |
| InChIKey | WFQBWZPTVRKYLS-HVEPFCGMSA-N |
| Mol Weight | 766.9 g/mol |
| Molecular Formula | C39H58N8O8 |
| Exact Mass | 766.437761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyMElhgpnU |
|---|---|
| Name | INTEGERRIMIDE_B;TRANS-CONFORMER;CYCLO-(-TRP-(1)-ALA-(2)-LEU-(3)-LEU-(4)-VAL-(5)-SER-(6)-PRO-(7)-) |
| Compound Number | 2-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58N8O8 |
| InChI | InChI=1S/C39H58N8O8/c1-20(2)15-27-35(51)43-28(16-21(3)4)36(52)46-32(22(5)6)38(54)45-30(19-48)39(55)47-14-10-13-31(47)37(53)44-29(34(50)41-23(7)33(49)42-27)17-24-18-40-26-12-9-8-11-25(24)26/h8-9,11-12,18,20-23,27-32,40,48H,10,13-17,19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)(H,44,53)(H,45,54)(H,46,52)/t23-,27-,28-,29-,30-,31-,32-/m0/s1 |
| InChIKey | WFQBWZPTVRKYLS-HVEPFCGMSA-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 | 766.938 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ15809 |