| SpectraBase Compound ID | BTpsDV1GcG6 |
|---|---|
| InChI | InChI=1S/C54H78N8O14/c1-10-15-41(64)55-38(26-29(3)4)47(67)57-37(53(73)74)22-24-42(65)59-45-32(8)76-54(75)44(31(7)11-2)60-49(69)40(28-33-16-13-12-14-17-33)61(9)52(72)46(30(5)6)62-43(66)25-23-36(51(62)71)56-48(68)39(58-50(45)70)27-34-18-20-35(63)21-19-34/h12-14,16-21,29-32,36-40,43-46,63,66H,10-11,15,22-28H2,1-9H3,(H,55,64)(H,56,68)(H,57,67)(H,58,70)(H,59,65)(H,60,69)(H,73,74)/t31?,32-,36-,37-,38+,39-,40-,43+,44-,45-,46-/m0/s1 |
| InChIKey | PUNPCZIPNYKTCV-PVAIWZOKSA-N |
| Mol Weight | 1063.3 g/mol |
| Molecular Formula | C54H78N8O14 |
| Exact Mass | 1062.563749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL1IzG9jAq3 |
|---|---|
| Name | MICROPEPTIN_88-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H78N8O14 |
| InChI | InChI=1S/C54H78N8O14/c1-10-15-41(64)55-38(26-29(3)4)47(67)57-37(53(73)74)22-24-42(65)59-45-32(8)76-54(75)44(31(7)11-2)60-49(69)40(28-33-16-13-12-14-17-33)61(9)52(72)46(30(5)6)62-43(66)25-23-36(51(62)71)56-48(68)39(58-50(45)70)27-34-18-20-35(63)21-19-34/h12-14,16-21,29-32,36-40,43-46,63,66H,10-11,15,22-28H2,1-9H3,(H,55,64)(H,56,68)(H,57,67)(H,58,70)(H,59,65)(H,60,69)(H,73,74)/t31?,32-,36-,37-,38+,39-,40-,43+,44-,45-,46-/m0/s1 |
| InChIKey | PUNPCZIPNYKTCV-PVAIWZOKSA-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 | 1063.259 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ8288 |