SpectraBase Compound ID | 58JCWNRgx5C |
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InChI | InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21-,24-,25-,26+,27+,28-/m1/s1 |
InChIKey | MBUIFNPNESWHQQ-IVYZCUSOSA-N |
Mol Weight | 430.7 g/mol |
Molecular Formula | C28H46O3 |
Exact Mass | 430.344695 g/mol |
SpectraBase Spectrum ID | DVQ5GslfQvH |
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Name | 22R-Butyl-1.alpha.,24-dihydroxy-24,25,26-trinorvitamin D3 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C28H46O3 |
InChI | InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21-,24-,25-,26+,27+,28-/m1/s1 |
InChIKey | MBUIFNPNESWHQQ-IVYZCUSOSA-N |
Ionization Type | EI |
Literature Reference DOI | 10.1021/jm8014348 |
Molecular Weight | 430.673 g/mol |
Reported Formula | C28H46O3 |
SMILES | O[C@@]1(C\C(=C\C=C/2CCC[C@@]3([C@@]([C@@]([C@@](CCO)(CCCC)[H])(C)[H])(CC[C@@]23[H])[H])C)C([C@](C1)(O)[H])=C)[H] |
SPLASH | splash10-0a59-9700000000-37aa83c68c990da2e828 |
Source of Spectrum | AF-52-1445-3 |
Wiley ID | 1873725 |