| SpectraBase Compound ID | EXVIEbbL8Xb |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-7-8-19-31(34)21-26(32)20-25(23(31)3)14-13-24-12-10-18-30(6)27(15-16-28(24)30)22(2)11-9-17-29(4,5)33/h12-14,22,26-28,32-34H,7-11,15-21H2,1-6H3/b14-13-/t22-,26-,27?,28?,30?,31+/m1/s1 |
| InChIKey | GEQPQXBECQEEGJ-LMHKNGKLSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Iz8DBnajyMs |
|---|---|
| Name | 1.alpha.-Butyl-previtamin D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-7-8-19-31(34)21-26(32)20-25(23(31)3)14-13-24-12-10-18-30(6)27(15-16-28(24)30)22(2)11-9-17-29(4,5)33/h12-14,22,26-28,32-34H,7-11,15-21H2,1-6H3/b14-13-/t22-,26-,27?,28?,30?,31+/m1/s1 |
| InChIKey | GEQPQXBECQEEGJ-LMHKNGKLSA-N |
| Molecular Weight | 472.754 g/mol |
| SMILES | O[C@]1(C[C@@](CC(=C1C)\C=C/C=1C2C(C(CC2)[C@@](CCCC(O)(C)C)(C)[H])(CCC1)C)(O)[H])CCCC |
| SPLASH | splash10-0udi-0901200000-d422a7fe2e0811ab6cfd |
| Source of Spectrum | J-60-1833-17 |
| Wiley ID | 1393545 |