| SpectraBase Compound ID | DRqW9dGOra3 |
|---|---|
| InChI | InChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-37(24-26-44(65)66)47(67)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(28-34-17-21-36(62)22-18-34)59(5)52(72)41(29-32-12-10-8-11-13-32)60-43(64)25-23-38(51(60)71)55-48(68)39(56-50(46)70)27-33-15-19-35(61)20-16-33/h8,10-13,15-22,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,23-29H2,1-5H3,(H,54,63)(H,55,68)(H,56,70)(H,57,69)(H,58,67)(H,65,66)/t31-,37+,38-,39-,40-,41-,43+,45-,46-/m1/s1 |
| InChIKey | IXBOOEYQWFLNRB-CERHXVKOSA-N |
| Mol Weight | 1028.2 g/mol |
| Molecular Formula | C53H69N7O14 |
| Exact Mass | 1027.49025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4v1jmyyGdc8 |
|---|---|
| Name | MICROPEPTIN_C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H69N7O14 |
| InChI | InChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-37(24-26-44(65)66)47(67)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(28-34-17-21-36(62)22-18-34)59(5)52(72)41(29-32-12-10-8-11-13-32)60-43(64)25-23-38(51(60)71)55-48(68)39(56-50(46)70)27-33-15-19-35(61)20-16-33/h8,10-13,15-22,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,23-29H2,1-5H3,(H,54,63)(H,55,68)(H,56,70)(H,57,69)(H,58,67)(H,65,66)/t31-,37+,38-,39-,40-,41-,43+,45-,46-/m1/s1 |
| InChIKey | IXBOOEYQWFLNRB-CERHXVKOSA-N |
| Literature Reference Author | T.KISUGI,T.OKINO |
| Literature Reference Citation | J.NAT.PROD.,72,777(2009) |
| Literature Reference DOI | 10.1021/np800631t |
| Molecular Weight | 1028.169 g/mol |
| Sample ID | 32493 |
| Solvent | DMSO-D6 |