| SpectraBase Compound ID | GRPnWhysLEr |
|---|---|
| InChI | InChI=1S/C41H65N9O11/c1-8-22(3)31-40(59)61-24(5)32(48-36(55)29(52)21-51)37(56)45-26(16-13-19-44-41(42)43)34(53)46-27-17-18-30(60-7)50(38(27)57)33(23(4)9-2)39(58)49(6)28(35(54)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33,51-52H,8-9,13,16-21H2,1-7H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)/t22-,23+,24-,26+,27+,28+,29+,30-,31+,32+,33+/m1/s1 |
| InChIKey | FFTCTTXTQUKETH-HJWJSNAKSA-N |
| Mol Weight | 860.0 g/mol |
| Molecular Formula | C41H65N9O11 |
| Exact Mass | 859.480354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aEugX04oB0 |
|---|---|
| Name | MICROPEPTIN_MZ-859 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H65N9O11 |
| InChI | InChI=1S/C41H65N9O11/c1-8-22(3)31-40(59)61-24(5)32(48-36(55)29(52)21-51)37(56)45-26(16-13-19-44-41(42)43)34(53)46-27-17-18-30(60-7)50(38(27)57)33(23(4)9-2)39(58)49(6)28(35(54)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33,51-52H,8-9,13,16-21H2,1-7H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)/t22-,23+,24-,26+,27+,28+,29+,30-,31+,32+,33+/m1/s1 |
| InChIKey | FFTCTTXTQUKETH-HJWJSNAKSA-N |
| Literature Reference Author | E.ZAFRIR,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,73,352(2010) |
| Literature Reference DOI | 10.1021/np900546u |
| Molecular Weight | 860.021 g/mol |
| Sample ID | 35055 |
| Solvent | DMSO-D6 |