| SpectraBase Compound ID | 5Lhg1JCMaFX |
|---|---|
| InChI | InChI=1S/C44H56Br2N2O10/c1-6-24-19-44-38(51)32(41(55)58-44)37(50)43(7-2)25(12-10-8-9-11-17-42(44,5)20-27(24)40(53)54)14-15-26-28(43)16-13-22(3)36(26)57-31-18-30(49)34(23(4)56-31)48-39(52)35-33(46)29(45)21-47-35/h11,14-15,17,20-26,28,30-31,34,36,47,49,51H,6-10,12-13,16,18-19H2,1-5H3,(H,48,52)(H,53,54)/b17-11+/t22-,23+,24-,25+,26+,28-,30+,31-,34+,36-,42-,43+,44+/m0/s1 |
| InChIKey | KOIIPVLVZPNZIH-SMHYXMPQSA-N |
| Mol Weight | 932.7 g/mol |
| Molecular Formula | C44H56Br2N2O10 |
| Exact Mass | 930.230172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcJGYzJV0J0 |
|---|---|
| Name | NAI414-D |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56Br2N2O10 |
| InChI | InChI=1S/C44H56Br2N2O10/c1-6-24-19-44-38(51)32(41(55)58-44)37(50)43(7-2)25(12-10-8-9-11-17-42(44,5)20-27(24)40(53)54)14-15-26-28(43)16-13-22(3)36(26)57-31-18-30(49)34(23(4)56-31)48-39(52)35-33(46)29(45)21-47-35/h11,14-15,17,20-26,28,30-31,34,36,47,49,51H,6-10,12-13,16,18-19H2,1-5H3,(H,48,52)(H,53,54)/b17-11+/t22-,23+,24-,25+,26+,28-,30+,31-,34+,36-,42-,43+,44+/m0/s1 |
| InChIKey | KOIIPVLVZPNZIH-SMHYXMPQSA-N |
| Literature Reference Author | C.MAZZETTI,M.ORNAGHI,E.DASPARI,S.PARAPINI,S.MAFFIOLI,M.SOSIO ,S.DONADIO |
| Literature Reference Citation | J.NAT.PROD.,75,1044(2012) |
| Literature Reference DOI | 10.1021/np300003n |
| Molecular Weight | 932.744 g/mol |
| Sample ID | 41073 |
| Solvent | CD3OD |