| SpectraBase Compound ID | 33IgiCQjIbE |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h6,8,10-11,18,22-25,28-30H,2,7,9,12-17H2,1,3-5H3/b8-6+,21-11+/t18-,22+,23-,24+,25+,27+/m0/s1 |
| InChIKey | VODOMGGXEVZDGW-SJWPAVBWSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JT81x2I1cnk |
|---|---|
| Name | (20S,22E)-2-Methylene- 1 9-nor-22-ene- 1 a,25 dihydroxyvitamin D3 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h6,8,10-11,18,22-25,28-30H,2,7,9,12-17H2,1,3-5H3/b8-6+,21-11+/t18-,22+,23-,24+,25+,27+/m0/s1 |
| InChIKey | VODOMGGXEVZDGW-SJWPAVBWSA-N |
| Instrument Name | Kratos MS-55 |
| Ionization Type | EI |
| Molecular Weight | 414.630 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\CC(C)(C)O)[H])[H])C)[H])[H] |
| SPLASH | splash10-000i-0920100000-aa29ce3b6d243217e700 |
| Source of Spectrum | AU2010300528A1 |
| Wiley ID | 1844495 |