| SpectraBase Compound ID | IVBpGawLxEb |
|---|---|
| InChI | InChI=1S/C33H42N6O7/c1-20(2)15-24-30(43)34-18-28(41)37-25(16-21-7-4-3-5-8-21)31(44)38-26(17-22-10-12-23(40)13-11-22)33(46)39-14-6-9-27(39)32(45)35-19-29(42)36-24/h3-5,7-8,10-13,20,24-27,40H,6,9,14-19H2,1-2H3,(H,34,43)(H,35,45)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27-/m0/s1 |
| InChIKey | AXEBEJWQIWQEHF-FWEHEUNISA-N |
| Mol Weight | 634.7 g/mol |
| Molecular Formula | C33H42N6O7 |
| Exact Mass | 634.311498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yV5X72ri17 |
|---|---|
| Name | CHERIMOLACYCLOPEPTIDE_E;CYCLO-LEU-(1)-GLY-(2)-PRO-(3)-TYR-(OH)-(4)-PHE-(5)-GLY-(6);NATURAL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42N6O7 |
| InChI | InChI=1S/C33H42N6O7/c1-20(2)15-24-30(43)34-18-28(41)37-25(16-21-7-4-3-5-8-21)31(44)38-26(17-22-10-12-23(40)13-11-22)33(46)39-14-6-9-27(39)32(45)35-19-29(42)36-24/h3-5,7-8,10-13,20,24-27,40H,6,9,14-19H2,1-2H3,(H,34,43)(H,35,45)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27-/m0/s1 |
| InChIKey | AXEBEJWQIWQEHF-FWEHEUNISA-N |
| Literature Reference Author | F.SHAHEEN,T.S.RIZVIM,S.G.MUSHARRAF,A.GANESAN,K.XIAO,J.B.TOWN SEND,K.S.LAM,M.I.CHO |
| Literature Reference Citation | J.NAT.PROD.,75,1882(2012) |
| Literature Reference DOI | 10.1021/np300266e |
| Molecular Weight | 634.732 g/mol |
| Sample ID | 41571 |
| Solvent | C5D5N |