| SpectraBase Compound ID | LCdm8uciZpi |
|---|---|
| InChI | InChI=1S/C40H62ClN9O18S2/c1-7-19(3)30-39(59)67-21(5)31(48-35(55)28(68-70(63,64)65)18-66-69(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(37(25)57)32(20(4)8-2)38(58)49(6)26(34(54)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-52H,7-10,12,14-15,17-18H2,1-6H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)(H,63,64,65)/p-1/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1 |
| InChIKey | SBCCONGDAHGETE-HWXQPLKUSA-M |
| Mol Weight | 1055.5 g/mol |
| Molecular Formula | C40H61ClN9O18S2 |
| Exact Mass | 1054.326451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGknJWKzcqC |
|---|---|
| Name | MICROPEPTIN_478-B |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H61ClN9O18S2 |
| InChI | InChI=1S/C40H62ClN9O18S2/c1-7-19(3)30-39(59)67-21(5)31(48-35(55)28(68-70(63,64)65)18-66-69(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(37(25)57)32(20(4)8-2)38(58)49(6)26(34(54)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-52H,7-10,12,14-15,17-18H2,1-6H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)(H,63,64,65)/p-1/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1 |
| InChIKey | SBCCONGDAHGETE-HWXQPLKUSA-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 | 1055.547 g/mol |
| Sample ID | 33347 |
| Solvent | DMSO-D6 |