| SpectraBase Compound ID | GAgbr9xVqjg |
|---|---|
| InChI | InChI=1S/C49H70N8O13/c1-25(2)20-33-42(62)51-32-18-19-39(61)57(47(32)67)36(21-26(3)4)48(68)56(8)35(22-29-12-10-9-11-13-29)44(64)54-40(27(5)6)49(69)70-28(7)41(46(66)53-33)55-43(63)34(24-38(50)60)52-45(65)37(59)23-30-14-16-31(58)17-15-30/h9-17,25-28,32-37,39-41,58-59,61H,18-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t28-,32+,33+,34-,35+,36+,37-,39-,40+,41+/m1/s1 |
| InChIKey | IRVJVPYNSVRRCE-ONJIHWENSA-N |
| Mol Weight | 979.1 g/mol |
| Molecular Formula | C49H70N8O13 |
| Exact Mass | 978.506234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLIjik98mQn |
|---|---|
| Name | MICROPEPTIN_HH978 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H70N8O13 |
| InChI | InChI=1S/C49H70N8O13/c1-25(2)20-33-42(62)51-32-18-19-39(61)57(47(32)67)36(21-26(3)4)48(68)56(8)35(22-29-12-10-9-11-13-29)44(64)54-40(27(5)6)49(69)70-28(7)41(46(66)53-33)55-43(63)34(24-38(50)60)52-45(65)37(59)23-30-14-16-31(58)17-15-30/h9-17,25-28,32-37,39-41,58-59,61H,18-24H2,1-8H3,(H2,50,60)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,63)/t28-,32+,33+,34-,35+,36+,37-,39-,40+,41+/m1/s1 |
| InChIKey | IRVJVPYNSVRRCE-ONJIHWENSA-N |
| Literature Reference Author | A.LODIN-FRIEDMAN,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,76,1196(2013) |
| Literature Reference DOI | 10.1021/np400281q |
| Molecular Weight | 979.141 g/mol |
| Sample ID | 42692 |
| Solvent | DMSO-D6 |