| SpectraBase Compound ID | IG8mVSxzojR |
|---|---|
| InChI | InChI=1S/C35H49N9O9/c1-17(2)12-23-32(50)42-25(14-27(36)46)31(49)39-18(3)30(48)41-24(13-20-15-37-22-9-6-5-8-21(20)22)33(51)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)38-16-28(47)40-23/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,52)(H,39,49)(H,40,47)(H,41,48)(H,42,50)(H,43,51)/t18-,19?,23-,24-,25-,26-,29-/m0/s1 |
| InChIKey | BJDACJTXTXRXOB-YQMUMVGFSA-N |
| Mol Weight | 739.8 g/mol |
| Molecular Formula | C35H49N9O9 |
| Exact Mass | 739.365324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GwkXSA5flF |
|---|---|
| Name | CYCLOMONTANIN_A;CYCLO-(-GLY-(1)-TRANS-PRO-(2)-THR-(3)-TRP-(4)-ALA-(5)-ASN-(6)-LEU-(7)-) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49N9O9 |
| InChI | InChI=1S/C35H49N9O9/c1-17(2)12-23-32(50)42-25(14-27(36)46)31(49)39-18(3)30(48)41-24(13-20-15-37-22-9-6-5-8-21(20)22)33(51)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)38-16-28(47)40-23/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,52)(H,39,49)(H,40,47)(H,41,48)(H,42,50)(H,43,51)/t18-,19?,23-,24-,25-,26-,29-/m0/s1 |
| InChIKey | BJDACJTXTXRXOB-YQMUMVGFSA-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 | 739.829 g/mol |
| Sample ID | 28455 |
| Solvent | C5D5N |