| SpectraBase Compound ID | gwzNGqL4UR |
|---|---|
| InChI | InChI=1S/C41H64ClN9O18S2/c1-8-20(3)31-40(59)68-22(5)32(49-36(55)29(69-71(63,64)65)19-67-70(60,61)62)37(56)46-25(11-10-16-45-41(43)44)34(53)47-26-13-15-30(52)51(38(26)57)33(21(4)9-2)39(58)50(6)27(35(54)48-31)18-23-12-14-28(66-7)24(42)17-23/h12,14,17,20-22,25-27,29-33,52H,8-11,13,15-16,18-19H2,1-7H3,(H,46,56)(H,47,53)(H,48,54)(H,49,55)(H4,43,44,45)(H,60,61,62)(H,63,64,65)/p-1/t20-,21-,22+,25-,26-,27-,29+,30+,31-,32-,33-/m0/s1 |
| InChIKey | WOAMPBVZWZVESL-BYJMUUBVSA-M |
| Mol Weight | 1069.6 g/mol |
| Molecular Formula | C41H63ClN9O18S2 |
| Exact Mass | 1068.342101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hLtt3S3ZpG |
|---|---|
| Name | MICROPEPTIN_HU1069 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H63ClN9O18S2 |
| InChI | InChI=1S/C41H64ClN9O18S2/c1-8-20(3)31-40(59)68-22(5)32(49-36(55)29(69-71(63,64)65)19-67-70(60,61)62)37(56)46-25(11-10-16-45-41(43)44)34(53)47-26-13-15-30(52)51(38(26)57)33(21(4)9-2)39(58)50(6)27(35(54)48-31)18-23-12-14-28(66-7)24(42)17-23/h12,14,17,20-22,25-27,29-33,52H,8-11,13,15-16,18-19H2,1-7H3,(H,46,56)(H,47,53)(H,48,54)(H,49,55)(H4,43,44,45)(H,60,61,62)(H,63,64,65)/p-1/t20-,21-,22+,25-,26-,27-,29+,30+,31-,32-,33-/m0/s1 |
| InChIKey | WOAMPBVZWZVESL-BYJMUUBVSA-M |
| 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 | 1069.574 g/mol |
| Sample ID | 33337 |
| Solvent | DMSO-D6 |