| SpectraBase Compound ID | 2ZqdtY8GNbt |
|---|---|
| InChI | InChI=1S/C35H49N3O4/c1-22(2)10-8-11-23(3)28-16-17-29-34(28,4)18-9-19-35(29)31(42-35)30-27-20-26(39)15-14-24(27)21-36-32(40)37(33(41)38(30)36)25-12-6-5-7-13-25/h5-7,12-13,22-23,26,28-31,39H,8-11,14-21H2,1-4H3/t23-,26+,28-,29?,30+,31-,34-,35-/m1/s1 |
| InChIKey | INQSQFWOKCIEAW-PZADMOQZSA-N |
| Mol Weight | 575.8 g/mol |
| Molecular Formula | C35H49N3O4 |
| Exact Mass | 575.372307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UMMnDUQ4a6 |
|---|---|
| Name | (6S-7R,8R)-4-N-PHENYL-TRIAZOLINE-3,5-DIONE-ADDUKT-OF-VITAMIN-D3-7,8-OXIRANE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49N3O4 |
| InChI | InChI=1S/C35H49N3O4/c1-22(2)10-8-11-23(3)28-16-17-29-34(28,4)18-9-19-35(29)31(42-35)30-27-20-26(39)15-14-24(27)21-36-32(40)37(33(41)38(30)36)25-12-6-5-7-13-25/h5-7,12-13,22-23,26,28-31,39H,8-11,14-21H2,1-4H3/t23-,26+,28-,29?,30+,31-,34-,35-/m1/s1 |
| InChIKey | INQSQFWOKCIEAW-PZADMOQZSA-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 | 575.792 g/mol |
| Solvent | Unknown |
| Source File Reference | UWWR5033 |