| SpectraBase Compound ID | CKoqqNDyHf7 |
|---|---|
| InChI | InChI=1S/C33H48O4/c1-21(2)8-14-30(36)33(17-18-33)31(37)15-9-22(3)26-12-13-27-25(7-6-16-32(26,27)5)11-10-24-19-28(34)23(4)29(35)20-24/h9-11,15,21-22,26-29,34-35H,4,6-8,12-14,16-20H2,1-3,5H3/b15-9+,25-11+/t22-,26-,27+,28-,29-,32-/m1/s1 |
| InChIKey | ULVIQPAHEBDJER-PAYMZSQISA-N |
| Mol Weight | 508.7 g/mol |
| Molecular Formula | C33H48O4 |
| Exact Mass | 508.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LQGKQHGtzC2 |
|---|---|
| Name | (20R,22E)-2-Methylene-25-(4-methylpentanoyl)-24-oxo-26,27-cyclo-22-dehydro-1.alpha.-hydroxy-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H48O4 |
| InChI | InChI=1S/C33H48O4/c1-21(2)8-14-30(36)33(17-18-33)31(37)15-9-22(3)26-12-13-27-25(7-6-16-32(26,27)5)11-10-24-19-28(34)23(4)29(35)20-24/h9-11,15,21-22,26-29,34-35H,4,6-8,12-14,16-20H2,1-3,5H3/b15-9+,25-11+/t22-,26-,27+,28-,29-,32-/m1/s1 |
| InChIKey | ULVIQPAHEBDJER-PAYMZSQISA-N |
| Ionization Type | EI |
| Molecular Weight | 508.743 g/mol |
| SMILES | O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@](C)(\C=C\C(C1(C(CCC(C)C)=O)CC1)=O)[H])[H])C)[H])[H] |
| SPLASH | splash10-00fs-7901100000-c0711c5321eeb3919b65 |
| Source of Spectrum | EP2714656A2 |
| Wiley ID | 1849823 |