![CYCLO-[PRO(A)-PRO(B)-TYR-VAL-PRO(C)-ILE-ILE],HYMENISTATIN](/api/spectrum/Hkk3UX0Q2jV/structure.png?h=300&w=458 "CYCLO-[PRO(A)-PRO(B)-TYR-VAL-PRO(C)-ILE-ILE],HYMENISTATIN")
| SpectraBase Compound ID | 9wRDv5zB1kT |
|---|---|
| InChI | InChI=1S/C47H72N8O9/c1-9-28(7)38-44(61)52-39(29(8)10-2)47(64)55-23-13-16-36(55)45(62)53-21-11-14-34(53)42(59)49-33(25-30-17-19-31(56)20-18-30)41(58)50-37(27(5)6)46(63)54-22-12-15-35(54)43(60)48-32(24-26(3)4)40(57)51-38/h17-20,26-29,32-39,56H,9-16,21-25H2,1-8H3,(H,48,60)(H,49,59)(H,50,58)(H,51,57)(H,52,61)/t28?,29?,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChIKey | NACGNHONDBBQGE-VSKWTTKSSA-N |
| Mol Weight | 893.1 g/mol |
| Molecular Formula | C47H72N8O9 |
| Exact Mass | 892.542226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hkk3UX0Q2jV |
|---|---|
| Name | CYCLO-[PRO(A)-PRO(B)-TYR-VAL-PRO(C)-ILE-ILE],HYMENISTATIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72N8O9 |
| InChI | InChI=1S/C47H72N8O9/c1-9-28(7)38-44(61)52-39(29(8)10-2)47(64)55-23-13-16-36(55)45(62)53-21-11-14-34(53)42(59)49-33(25-30-17-19-31(56)20-18-30)41(58)50-37(27(5)6)46(63)54-22-12-15-35(54)43(60)48-32(24-26(3)4)40(57)51-38/h17-20,26-29,32-39,56H,9-16,21-25H2,1-8H3,(H,48,60)(H,49,59)(H,50,58)(H,51,57)(H,52,61)/t28?,29?,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChIKey | NACGNHONDBBQGE-VSKWTTKSSA-N |
| Literature Reference Author | G.R.PETTIT,P.J.CLEWLOW,C.DUFRESNE,D.L.DOUBEK,R.L.CERNY,K.RUE TZLER |
| Literature Reference Citation | CAN.J.CHEM.,68,708(1990) |
| Literature Reference DOI | 10.1139/v90-110 |
| Molecular Weight | 893.137 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED11828 |