| SpectraBase Compound ID | Dz9Akac9Vwk |
|---|---|
| InChI | InChI=1S/C50H71N7O14/c1-8-9-10-11-39(60)51-34(21-23-41(62)63)44(64)55-43-29(6)71-50(70)42(28(4)5)54-46(66)37(26-31-14-18-33(59)19-15-31)56(7)49(69)38(24-27(2)3)57-40(61)22-20-35(48(57)68)52-45(65)36(53-47(43)67)25-30-12-16-32(58)17-13-30/h12-19,27-29,34-38,40,42-43,58-59,61H,8-11,20-26H2,1-7H3,(H,51,60)(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,62,63)/t29-,34+,35-,36-,37-,38-,40+,42-,43-/m1/s1 |
| InChIKey | ACMHKGWLZHYQFH-GTNLLIDASA-N |
| Mol Weight | 994.2 g/mol |
| Molecular Formula | C50H71N7O14 |
| Exact Mass | 993.5059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LY5bJnwVKyq |
|---|---|
| Name | MICROPEPTIN_E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H71N7O14 |
| InChI | InChI=1S/C50H71N7O14/c1-8-9-10-11-39(60)51-34(21-23-41(62)63)44(64)55-43-29(6)71-50(70)42(28(4)5)54-46(66)37(26-31-14-18-33(59)19-15-31)56(7)49(69)38(24-27(2)3)57-40(61)22-20-35(48(57)68)52-45(65)36(53-47(43)67)25-30-12-16-32(58)17-13-30/h12-19,27-29,34-38,40,42-43,58-59,61H,8-11,20-26H2,1-7H3,(H,51,60)(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,62,63)/t29-,34+,35-,36-,37-,38-,40+,42-,43-/m1/s1 |
| InChIKey | ACMHKGWLZHYQFH-GTNLLIDASA-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 | 994.152 g/mol |
| Sample ID | 32495 |
| Solvent | DMSO-D6 |