| SpectraBase Compound ID | 2pq9dB8faWi |
|---|---|
| InChI | InChI=1S/C46H64N10O13/c1-6-24(2)37-45(68)69-25(3)38(54-40(63)32(23-36(60)61)50-26(4)57)42(65)51-30(13-10-20-49-46(47)48)39(62)52-31-18-19-35(59)56(43(31)66)34(22-27-11-8-7-9-12-27)44(67)55(5)33(41(64)53-37)21-28-14-16-29(58)17-15-28/h7-9,11-12,14-17,24-25,30-35,37-38,58-59H,6,10,13,18-23H2,1-5H3,(H,50,57)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)/t24?,25-,30+,31?,32+,33+,34+,35-,37+,38+/m1/s1 |
| InChIKey | WCCRMFNYIYCRFM-CYUNBDKWSA-N |
| Mol Weight | 965.1 g/mol |
| Molecular Formula | C46H64N10O13 |
| Exact Mass | 964.465432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEMueiyXoJw |
|---|---|
| Name | MICROPEPTIN-EI964 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H64N10O13 |
| InChI | InChI=1S/C46H64N10O13/c1-6-24(2)37-45(68)69-25(3)38(54-40(63)32(23-36(60)61)50-26(4)57)42(65)51-30(13-10-20-49-46(47)48)39(62)52-31-18-19-35(59)56(43(31)66)34(22-27-11-8-7-9-12-27)44(67)55(5)33(41(64)53-37)21-28-14-16-29(58)17-15-28/h7-9,11-12,14-17,24-25,30-35,37-38,58-59H,6,10,13,18-23H2,1-5H3,(H,50,57)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)/t24?,25-,30+,31?,32+,33+,34+,35-,37+,38+/m1/s1 |
| InChIKey | WCCRMFNYIYCRFM-CYUNBDKWSA-N |
| Literature Reference Author | A.PLOUTNO,M.SHOSHAN,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,65,973(2002) |
| Literature Reference DOI | 10.1021/np010597b |
| Molecular Weight | 965.073 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI4352 |