| SpectraBase Compound ID | 4NMeje2ZMWx |
|---|---|
| InChI | InChI=1S/C42H59N3O15/c1-5-23(2)39(53)45-19-9-17-44-32(47)20-30(43-18-16-29(21-45)57-25(4)46)26-12-14-28(15-13-26)58-42-38(36(51)33(48)24(3)56-42)60-41-37(52)35(50)34(49)31(59-41)22-55-40(54)27-10-7-6-8-11-27/h6-8,10-15,23-24,29-31,33-38,41-43,48-52H,5,9,16-22H2,1-4H3,(H,44,47)/t23-,24+,29+,30-,31-,33+,34-,35+,36-,37-,38-,41+,42+/m0/s1 |
| InChIKey | JHASEUWJNLLPAL-AOOBLXHPSA-N |
| Mol Weight | 845.9 g/mol |
| Molecular Formula | C42H59N3O15 |
| Exact Mass | 845.394618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PSeVzObvui |
|---|---|
| Name | MEEHANINE_A;ISOMER_2 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H59N3O15 |
| InChI | InChI=1S/C42H59N3O15/c1-5-23(2)39(53)45-19-9-17-44-32(47)20-30(43-18-16-29(21-45)57-25(4)46)26-12-14-28(15-13-26)58-42-38(36(51)33(48)24(3)56-42)60-41-37(52)35(50)34(49)31(59-41)22-55-40(54)27-10-7-6-8-11-27/h6-8,10-15,23-24,29-31,33-38,41-43,48-52H,5,9,16-22H2,1-4H3,(H,44,47)/t23-,24+,29+,30-,31-,33+,34-,35+,36-,37-,38-,41+,42+/m0/s1 |
| InChIKey | JHASEUWJNLLPAL-AOOBLXHPSA-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 | 845.942 g/mol |
| Sample ID | 32719 |
| Solvent | CD3OD |