| SpectraBase Compound ID | 2JMNjohBrzy |
|---|---|
| InChI | InChI=1S/C55H72N8O15/c1-8-30(4)45-55(77)78-31(5)46(60-43(67)24-22-39(54(75)76)58-48(69)40(56-32(6)64)26-34-14-18-36(65)19-15-34)51(72)59-41(27-35-16-20-37(66)21-17-35)49(70)57-38-23-25-44(68)63(52(38)73)47(29(2)3)53(74)62(7)42(50(71)61-45)28-33-12-10-9-11-13-33/h9-21,29-31,38-42,44-47,65-66,68H,8,22-28H2,1-7H3,(H,56,64)(H,57,70)(H,58,69)(H,59,72)(H,60,67)(H,61,71)(H,75,76)/t30?,31-,38-,39-,40-,41-,42-,44+,45-,46-,47-/m0/s1 |
| InChIKey | ROXJSZHCCCSPST-TWPGBXFISA-N |
| Mol Weight | 1085.2 g/mol |
| Molecular Formula | C55H72N8O15 |
| Exact Mass | 1084.511714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX3JxPTvh7B |
|---|---|
| Name | MICROPEPTIN_88-Y |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H72N8O15 |
| InChI | InChI=1S/C55H72N8O15/c1-8-30(4)45-55(77)78-31(5)46(60-43(67)24-22-39(54(75)76)58-48(69)40(56-32(6)64)26-34-14-18-36(65)19-15-34)51(72)59-41(27-35-16-20-37(66)21-17-35)49(70)57-38-23-25-44(68)63(52(38)73)47(29(2)3)53(74)62(7)42(50(71)61-45)28-33-12-10-9-11-13-33/h9-21,29-31,38-42,44-47,65-66,68H,8,22-28H2,1-7H3,(H,56,64)(H,57,70)(H,58,69)(H,59,72)(H,60,67)(H,61,71)(H,75,76)/t30?,31-,38-,39-,40-,41-,42-,44+,45-,46-,47-/m0/s1 |
| InChIKey | ROXJSZHCCCSPST-TWPGBXFISA-N |
| Literature Reference Author | H.YAMAKI,N.SITACHITTA,T.SANO,K.KAYA |
| Literature Reference Citation | J.NAT.PROD.,68,14(2005) |
| Literature Reference DOI | 10.1021/np0401361 |
| Molecular Weight | 1085.221 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ8289 |