| SpectraBase Compound ID | GQiTgzNb4hV |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-16(8-7-12-27(4,5)31)22-9-10-23-26-24-20(11-13-28(22,23)6)18(3)21(25(24)26)15-19(30)14-17(2)29/h16,19-20,22-26,30-31H,7-15H2,1-6H3/t16-,19+,20+,22?,23-,24+,25-,26-,28+/m1/s1 |
| InChIKey | HEWMSLXBGJIWON-WOYBEBRGSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8rgPfLvPlEk |
|---|---|
| Name | Previtamin D 1,10-bond cleavage product |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-16(8-7-12-27(4,5)31)22-9-10-23-26-24-20(11-13-28(22,23)6)18(3)21(25(24)26)15-19(30)14-17(2)29/h16,19-20,22-26,30-31H,7-15H2,1-6H3/t16-,19+,20+,22?,23-,24+,25-,26-,28+/m1/s1 |
| InChIKey | HEWMSLXBGJIWON-WOYBEBRGSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | OC(CCC[C@](C1[C@]2([C@@]([C@]3([C@@]4(C(C[C@](CC(=O)C)(O)[H])=C([C@](CC2)([C@]34[H])[H])C)[H])[H])(CC1)[H])C)(C)[H])(C)C |
| SPLASH | splash10-0a4i-0905000000-ee5fb4667cc8931eecd9 |
| Source of Spectrum | J-60-1833-18 |
| Wiley ID | 1381788 |