| SpectraBase Compound ID | 3TKmQXFcQFq |
|---|---|
| InChI | InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28?,32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1 |
| InChIKey | POVFXEIWKRHEKP-OHQKQPKLSA-N |
| Mol Weight | 1054.2 g/mol |
| Molecular Formula | C51H67N13O12 |
| Exact Mass | 1053.503215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzqGgKz1qan |
|---|---|
| Name | CYCLOMONTANIN_C;CYCLO-(-PHE(1)-PRO-(2)-PRO-(3)-THR-(4)-PHE-(5)-ASN-(6)-HIS-(7)-VAL-(8)-ASN-(9)-) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H67N13O12 |
| InChI | InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28?,32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1 |
| InChIKey | POVFXEIWKRHEKP-OHQKQPKLSA-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 | 1054.173 g/mol |
| Sample ID | 28457 |
| Solvent | C5D5N |