| SpectraBase Compound ID | LBJA83sHrD6 |
|---|---|
| InChI | InChI=1S/C40H62ClN9O15S/c1-8-20(4)32-38(58)49(6)26(17-22-11-13-28(63-7)23(41)16-22)34(54)47-30(19(2)3)39(59)65-21(5)31(48-35(55)27(51)18-64-66(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(32)37(25)57/h11,13,16,19-21,24-27,29-32,51-52H,8-10,12,14-15,17-18H2,1-7H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)/t20-,21+,24-,25-,26-,27+,29+,30-,31-,32-/m0/s1 |
| InChIKey | MYVJMUMDWRYBGD-PFHMNZNFSA-N |
| Mol Weight | 976.5 g/mol |
| Molecular Formula | C40H62ClN9O15S |
| Exact Mass | 975.377461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tFZHpUa7at |
|---|---|
| Name | MICROPEPTIN_HU975 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62ClN9O15S |
| InChI | InChI=1S/C40H62ClN9O15S/c1-8-20(4)32-38(58)49(6)26(17-22-11-13-28(63-7)23(41)16-22)34(54)47-30(19(2)3)39(59)65-21(5)31(48-35(55)27(51)18-64-66(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(32)37(25)57/h11,13,16,19-21,24-27,29-32,51-52H,8-10,12,14-15,17-18H2,1-7H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)/t20-,21+,24-,25-,26-,27+,29+,30-,31-,32-/m0/s1 |
| InChIKey | MYVJMUMDWRYBGD-PFHMNZNFSA-N |
| 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 | 976.497 g/mol |
| Sample ID | 33341 |
| Solvent | DMSO-D6 |