| 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 | yEJ9vxE4Fa |
|---|---|
| Name | (20S,22E)-2-Methylene-19-nor-22-ene-1a,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 DS-50 TC |
| Ionization Type | EI |
| Molecular Weight | 414.630 g/mol |
| SMILES | OC(C\C=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])(C)C |
| SPLASH | splash10-000i-0920000000-c492bf1224c6fcf7d5f9 |
| Source of Spectrum | US20110086824A1 |
| Wiley ID | 1861739 |