| SpectraBase Compound ID | C84eItKIJE6 |
|---|---|
| InChI | InChI=1S/C35H52N8O8S/c1-6-19(2)28-35(51)43-15-10-13-26(43)34(50)41-24(17-22-11-8-7-9-12-22)33(49)40-25(18-27(36)44)32(48)38-20(3)29(45)39-23(14-16-52-5)31(47)37-21(4)30(46)42-28/h7-9,11-12,19-21,23-26,28H,6,10,13-18H2,1-5H3,(H2,36,44)(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t19?,20-,21-,23-,24-,25?,26-,28-/m0/s1 |
| InChIKey | MJIXQFVJUHBNPL-NRTUZEDPSA-N |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C35H52N8O8S |
| Exact Mass | 744.362882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AWbKT8DXfht |
|---|---|
| Name | CYCLO-PHE-D-ASN-ALA-MET-ALA-ILE-PRO;(R)-ASN-PHAKELLISTATIN-5 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52N8O8S |
| InChI | InChI=1S/C35H52N8O8S/c1-6-19(2)28-35(51)43-15-10-13-26(43)34(50)41-24(17-22-11-8-7-9-12-22)33(49)40-25(18-27(36)44)32(48)38-20(3)29(45)39-23(14-16-52-5)31(47)37-21(4)30(46)42-28/h7-9,11-12,19-21,23-26,28H,6,10,13-18H2,1-5H3,(H2,36,44)(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t19?,20-,21-,23-,24-,25?,26-,28-/m0/s1 |
| InChIKey | MJIXQFVJUHBNPL-NRTUZEDPSA-N |
| Literature Reference Author | G.R.PETTIT,B.E.TOKI,J.P.XU,D.C.BRUNE |
| Literature Reference Citation | J.NAT.PROD.,63,22(2000) |
| Literature Reference DOI | 10.1021/np990253+ |
| Molecular Weight | 744.907 g/mol |
| Solvent | CD3OD |