| SpectraBase Compound ID | 5ZQ7bQ6QD4y |
|---|---|
| InChI | InChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1 |
| InChIKey | SRGSUICLJQYQAF-KTHKBMNISA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C34H48N8O9 |
| Exact Mass | 712.354425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vzjSX427ig |
|---|---|
| Name | CYCLOMONTANIN_D;CYCLO-(PRO-(1)-GLY-(2)-LEU-(3)-PRO-(4)-TYR-(5)-ALA-(6)-ASN-(7));ISOMER_1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N8O9 |
| InChI | InChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1 |
| InChIKey | SRGSUICLJQYQAF-KTHKBMNISA-N |
| Literature Reference Author | P.H.CHUANG,P.W.HSIEH,Y.L.YANG,K.F.HUA,F.R.CHANG,J.SHIEA,S.H. WU,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,71,1365(2008) |
| Literature Reference DOI | 10.1021/np8001282 |
| Molecular Weight | 712.803 g/mol |
| Sample ID | 28458 |
| Solvent | C5D5N |