| SpectraBase Compound ID | 7NTrz5QIsH5 |
|---|---|
| InChI | InChI=1S/C35H49N3O5/c1-22(2)10-8-11-23(3)26-14-15-27-32(26,4)17-9-18-34(27)29(42-34)28-35-20-25(39)16-19-33(35,43-35)21-36-30(40)37(31(41)38(28)36)24-12-6-5-7-13-24/h5-7,12-13,22-23,25-29,39H,8-11,14-21H2,1-4H3/t23-,25+,26-,27?,28+,29-,32-,33+,34-,35-/m1/s1 |
| InChIKey | UJVRLARRCFTHCO-NIOCXJMFSA-N |
| Mol Weight | 591.8 g/mol |
| Molecular Formula | C35H49N3O5 |
| Exact Mass | 591.367222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5YhbhDzQwh |
|---|---|
| Name | (5R,10S-6S-7R,8R)-4-N-PHENYL-TRIAZOLINE-3,5-DIONE-ADDUKT-OF-VITAMIN-D3-BISOXIRANE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49N3O5 |
| InChI | InChI=1S/C35H49N3O5/c1-22(2)10-8-11-23(3)26-14-15-27-32(26,4)17-9-18-34(27)29(42-34)28-35-20-25(39)16-19-33(35,43-35)21-36-30(40)37(31(41)38(28)36)24-12-6-5-7-13-24/h5-7,12-13,22-23,25-29,39H,8-11,14-21H2,1-4H3/t23-,25+,26-,27?,28+,29-,32-,33+,34-,35-/m1/s1 |
| InChIKey | UJVRLARRCFTHCO-NIOCXJMFSA-N |
| Literature Reference Author | W.REISCHL,C.KRATKY,G.M.SHELDRICK,E.ZBIRAL |
| Literature Reference Citation | MH.CHEM.,120,1165(1989) |
| Literature Reference DOI | 10.1007/BF00809300 |
| Molecular Weight | 591.791 g/mol |
| Solvent | Unknown |
| Source File Reference | UWWR5035 |