| SpectraBase Compound ID | 5R9KDrgDsGs |
|---|---|
| InChI | InChI=1S/C40H62ClN9O12/c1-7-19(3)30-39(61)62-21(5)31(48-35(57)28(53)18-51)36(58)45-24(10-9-15-44-40(42)43)33(55)46-25-12-14-29(54)50(37(25)59)32(20(4)8-2)38(60)49(6)26(34(56)47-30)17-22-11-13-27(52)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-54H,7-10,12,14-15,17-18H2,1-6H3,(H,45,58)(H,46,55)(H,47,56)(H,48,57)(H4,42,43,44)/p+1/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1 |
| InChIKey | OAGGBVOJAIWXLZ-HWXQPLKUSA-O |
| Mol Weight | 897.4 g/mol |
| Molecular Formula | C40H63ClN9O12 |
| Exact Mass | 896.428471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JROG5eS0Fhk |
|---|---|
| Name | MICROPEPTIN_HU895B |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H63ClN9O12 |
| InChI | InChI=1S/C40H62ClN9O12/c1-7-19(3)30-39(61)62-21(5)31(48-35(57)28(53)18-51)36(58)45-24(10-9-15-44-40(42)43)33(55)46-25-12-14-29(54)50(37(25)59)32(20(4)8-2)38(60)49(6)26(34(56)47-30)17-22-11-13-27(52)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-54H,7-10,12,14-15,17-18H2,1-6H3,(H,45,58)(H,46,55)(H,47,56)(H,48,57)(H4,42,43,44)/p+1/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1 |
| InChIKey | OAGGBVOJAIWXLZ-HWXQPLKUSA-O |
| Literature Reference Author | S.GESNER-APTER,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,72,1429(2009) |
| Literature Reference DOI | 10.1021/np900340t |
| Molecular Weight | 897.446 g/mol |
| Sample ID | 33345 |
| Solvent | DMSO-D6 |