| SpectraBase Compound ID | HTn0oGCxeeV |
|---|---|
| InChI | InChI=1S/C55H73N7O14/c1-6-7-8-9-13-16-44(65)56-39(26-28-46(67)68)49(69)60-48-33(4)76-55(75)47(32(2)3)59-51(71)42(30-36-19-23-38(64)24-20-36)61(5)54(74)43(31-34-14-11-10-12-15-34)62-45(66)27-25-40(53(62)73)57-50(70)41(58-52(48)72)29-35-17-21-37(63)22-18-35/h10-12,14-15,17-24,32-33,39-43,45,47-48,63-64,66H,6-9,13,16,25-31H2,1-5H3,(H,56,65)(H,57,70)(H,58,72)(H,59,71)(H,60,69)(H,67,68)/t33-,39+,40-,41-,42-,43-,45+,47-,48-/m1/s1 |
| InChIKey | UYWDIVWVEOWICI-UJLXYLDASA-N |
| Mol Weight | 1056.2 g/mol |
| Molecular Formula | C55H73N7O14 |
| Exact Mass | 1055.52155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ukEcxOJWve |
|---|---|
| Name | MICROPEPTIN_D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H73N7O14 |
| InChI | InChI=1S/C55H73N7O14/c1-6-7-8-9-13-16-44(65)56-39(26-28-46(67)68)49(69)60-48-33(4)76-55(75)47(32(2)3)59-51(71)42(30-36-19-23-38(64)24-20-36)61(5)54(74)43(31-34-14-11-10-12-15-34)62-45(66)27-25-40(53(62)73)57-50(70)41(58-52(48)72)29-35-17-21-37(63)22-18-35/h10-12,14-15,17-24,32-33,39-43,45,47-48,63-64,66H,6-9,13,16,25-31H2,1-5H3,(H,56,65)(H,57,70)(H,58,72)(H,59,71)(H,60,69)(H,67,68)/t33-,39+,40-,41-,42-,43-,45+,47-,48-/m1/s1 |
| InChIKey | UYWDIVWVEOWICI-UJLXYLDASA-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 | 1056.223 g/mol |
| Sample ID | 32494 |
| Solvent | DMSO-D6 |