| SpectraBase Compound ID | 4VFF2ItAOAu |
|---|---|
| InChI | InChI=1S/C40H62ClN9O15S/c1-7-19(3)30-39(60)65-21(5)31(48-35(56)28(52)18-64-66(61,62)63)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(37(25)58)32(20(4)8-2)38(59)49(6)26(34(55)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-53H,7-10,12,14-15,17-18H2,1-6H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)(H,61,62,63)/t19?,20?,21-,24+,25+,26+,28?,29-,30+,31+,32+/m1/s1 |
| InChIKey | XQAUOXBHKXOGBQ-MYEALNPPSA-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 | 4Fv1MsT80ff |
|---|---|
| Name | MICROPEPTIN-478-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62ClN9O15S |
| InChI | InChI=1S/C40H62ClN9O15S/c1-7-19(3)30-39(60)65-21(5)31(48-35(56)28(52)18-64-66(61,62)63)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(37(25)58)32(20(4)8-2)38(59)49(6)26(34(55)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-53H,7-10,12,14-15,17-18H2,1-6H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)(H,61,62,63)/t19?,20?,21-,24+,25+,26+,28?,29-,30+,31+,32+/m1/s1 |
| InChIKey | XQAUOXBHKXOGBQ-MYEALNPPSA-N |
| Literature Reference Author | K.ISHIDA,H.MATSUDA,M.MURAKAMI,K.YAMAGUCHI |
| Literature Reference Citation | J.NAT.PROD.,60,184(1997) |
| Literature Reference DOI | 10.1021/np9606815 |
| Molecular Weight | 976.497 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP12 |