| SpectraBase Compound ID | 3q4GA14bDEW |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-22(14-16-28(4,5)32)19(2)24-12-13-25-23(9-8-15-29(24,25)6)11-10-21-17-26(30)20(3)27(31)18-21/h10-11,19,22,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b23-11+/t19-,22+,24-,25+,26-,27-,29-/m1/s1 |
| InChIKey | BNFMTXDIGGYUDP-GLIRBNIOSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4MvKVgZOxk |
|---|---|
| Name | 22S-Ethyl-2-methylidene-19-nor-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-22(14-16-28(4,5)32)19(2)24-12-13-25-23(9-8-15-29(24,25)6)11-10-21-17-26(30)20(3)27(31)18-21/h10-11,19,22,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b23-11+/t19-,22+,24-,25+,26-,27-,29-/m1/s1 |
| InChIKey | BNFMTXDIGGYUDP-GLIRBNIOSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 444.700 g/mol |
| Reported Formula | C29H48O3 |
| SMILES | OC(CC[C@@]([C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C/C=C1C[C@](C([C@@](C1)(O)[H])=C)(O)[H])C)[H])[H])(C)[H])(CC)[H])(C)C |
| SPLASH | splash10-014r-5900100000-4fd5d576dde13e5b802a |
| Source of Spectrum | AF-53-5825-6b |
| Wiley ID | 1846238 |