| SpectraBase Compound ID | IbS50ckdRyr |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)21-11-12-22-20(7-6-14-27(21,22)5)10-9-19-15-23(28)18(2)24(29)16-19/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,20-10+/t17-,21-,22+,23-,24-,25-,27-/m1/s1 |
| InChIKey | DGLGCKCSFIKFMZ-BIKRMKAFSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8kadBcK8XzT |
|---|---|
| Name | (22E)-(24R)-2-Methylene-22-dehydro-1a,24,25-trihydroxy-19-norvitanin D-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)21-11-12-22-20(7-6-14-27(21,22)5)10-9-19-15-23(28)18(2)24(29)16-19/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,20-10+/t17-,21-,22+,23-,24-,25-,27-/m1/s1 |
| InChIKey | DGLGCKCSFIKFMZ-BIKRMKAFSA-N |
| Instrument Name | Micromass AutoSpec |
| Ionization Type | EI |
| Molecular Weight | 430.629 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])(O)[H])(C)C |
| SPLASH | splash10-0006-9010000000-25d4bc18c5b56e8142fc |
| Source of Spectrum | AU2013375208A1 |
| Wiley ID | 1850201 |