| SpectraBase Compound ID | 4kSPsmkqq3R |
|---|---|
| InChI | InChI=1S/C29H32BrCl2N9O8/c1-41-20(6-15(31)24(41)32)28(48)37-11-23(44)38-19-9-35-25(45)17(4-12-8-34-16-3-2-13(30)5-14(12)16)40-29(49)21(42)10-36-26(46)18(7-22(33)43)39-27(19)47/h2-3,5-6,8,17-19,21,34,42H,4,7,9-11H2,1H3,(H2,33,43)(H,35,45)(H,36,46)(H,37,48)(H,38,44)(H,39,47)(H,40,49)/t17-,18-,19+,21+/m1/s1 |
| InChIKey | NQEPESITNWAAHG-BNDYYXHWSA-N |
| Mol Weight | 785.4 g/mol |
| Molecular Formula | C29H32BrCl2N9O8 |
| Exact Mass | 783.093427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5ZpXkY4ITm |
|---|---|
| Name | CYCLOCINAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32BrCl2N9O8 |
| InChI | InChI=1S/C29H32BrCl2N9O8/c1-41-20(6-15(31)24(41)32)28(48)37-11-23(44)38-19-9-35-25(45)17(4-12-8-34-16-3-2-13(30)5-14(12)16)40-29(49)21(42)10-36-26(46)18(7-22(33)43)39-27(19)47/h2-3,5-6,8,17-19,21,34,42H,4,7,9-11H2,1H3,(H2,33,43)(H,35,45)(H,36,46)(H,37,48)(H,38,44)(H,39,47)(H,40,49)/t17-,18-,19+,21+/m1/s1 |
| InChIKey | NQEPESITNWAAHG-BNDYYXHWSA-N |
| Literature Reference Author | D.W.LAIRD,D.V.LABARBERA,X.FENG,T.S.BUGNI,M.K.HARPER,C.M.IREL AND |
| Literature Reference Citation | J.NAT.PROD.,70,741(2007) |
| Literature Reference DOI | 10.1021/np060489v |
| Molecular Weight | 785.439 g/mol |
| Sample ID | 30219 |
| Solvent | DMSO-D6 |