| SpectraBase Compound ID | 4R1KVXm48bf |
|---|---|
| InChI | InChI=1S/C40H62ClN9O12/c1-8-20(4)32-38(59)49(6)26(17-22-11-13-28(61-7)23(41)16-22)34(55)47-30(19(2)3)39(60)62-21(5)31(48-35(56)27(52)18-51)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(32)37(25)58/h11,13,16,19-21,24-27,29-32,51-53H,8-10,12,14-15,17-18H2,1-7H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)/p+1/t20-,21+,24-,25-,26-,27+,29+,30-,31+,32-/m0/s1 |
| InChIKey | FSJIJAPZQVZIBD-LRCSZHBHSA-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 | KXCibdCVs3j |
|---|---|
| Name | MICROPEPTIN_HU895A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H63ClN9O12 |
| InChI | InChI=1S/C40H62ClN9O12/c1-8-20(4)32-38(59)49(6)26(17-22-11-13-28(61-7)23(41)16-22)34(55)47-30(19(2)3)39(60)62-21(5)31(48-35(56)27(52)18-51)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(32)37(25)58/h11,13,16,19-21,24-27,29-32,51-53H,8-10,12,14-15,17-18H2,1-7H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)/p+1/t20-,21+,24-,25-,26-,27+,29+,30-,31+,32-/m0/s1 |
| InChIKey | FSJIJAPZQVZIBD-LRCSZHBHSA-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 | 33343 |
| Solvent | DMSO-D6 |