| SpectraBase Compound ID | J9fCO98XVH7 |
|---|---|
| InChI | InChI=1S/C41H57N3O15/c1-4-9-32(47)44-19-8-17-43-31(46)20-29(42-18-16-28(21-44)56-24(3)45)25-12-14-27(15-13-25)57-41-38(36(51)33(48)23(2)55-41)59-40-37(52)35(50)34(49)30(58-40)22-54-39(53)26-10-6-5-7-11-26/h5-7,10-15,23,28-30,33-38,40-42,48-52H,4,8-9,16-22H2,1-3H3,(H,43,46)/t23-,28-,29+,30+,33-,34+,35-,36+,37+,38+,40-,41-/m1/s1 |
| InChIKey | KKUATRRZGGKSHI-JGOIYPRWSA-N |
| Mol Weight | 831.9 g/mol |
| Molecular Formula | C41H57N3O15 |
| Exact Mass | 831.378968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DU1RBv0Hpx4 |
|---|---|
| Name | MEEHANINE_E;ISOMER_2 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H57N3O15 |
| InChI | InChI=1S/C41H57N3O15/c1-4-9-32(47)44-19-8-17-43-31(46)20-29(42-18-16-28(21-44)56-24(3)45)25-12-14-27(15-13-25)57-41-38(36(51)33(48)23(2)55-41)59-40-37(52)35(50)34(49)30(58-40)22-54-39(53)26-10-6-5-7-11-26/h5-7,10-15,23,28-30,33-38,40-42,48-52H,4,8-9,16-22H2,1-3H3,(H,43,46)/t23-,28-,29+,30+,33-,34+,35-,36+,37+,38+,40-,41-/m1/s1 |
| InChIKey | KKUATRRZGGKSHI-JGOIYPRWSA-N |
| Literature Reference Author | T.MURATA,T.MIYASE,T.WARASHINA,F.YOSHIZAKI |
| Literature Reference Citation | J.NAT.PROD.,72,1049(2009) |
| Literature Reference DOI | 10.1021/np800691k |
| Molecular Weight | 831.915 g/mol |
| Sample ID | 32727 |
| Solvent | CD3OD |