| SpectraBase Compound ID | 1bK6FAIMgME |
|---|---|
| InChI | InChI=1S/C26H40O5/c1-14(28)20-15(29)11-17-24(4)10-7-16-23(2,3)8-6-9-26(16,13-27)18(24)12-19-25(17,5)21(20)22(30)31-19/h15-21,27,29H,6-13H2,1-5H3/t15-,16-,17-,18-,19+,20+,21+,24-,25+,26+/m0/s1 |
| InChIKey | ODRREYNMJHGITF-KRCADPEKSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C26H40O5 |
| Exact Mass | 432.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BLunDHO38fb |
|---|---|
| Name | 16,22-Dihydroxy-homoscalaralactone-II-A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40O5 |
| InChI | InChI=1S/C26H40O5/c1-14(28)20-15(29)11-17-24(4)10-7-16-23(2,3)8-6-9-26(16,13-27)18(24)12-19-25(17,5)21(20)22(30)31-19/h15-21,27,29H,6-13H2,1-5H3/t15-,16-,17-,18-,19+,20+,21+,24-,25+,26+/m0/s1 |
| InChIKey | ODRREYNMJHGITF-KRCADPEKSA-N |
| Molecular Weight | 432.601 g/mol |
| SMILES | O[C@@]1([C@]([C@]2([C@]3([C@@](C[C@@]4([C@]5(CO)[C@@](CC[C@]4([C@@]3(C1)[H])C)(C(C)(C)CCC5)[H])[H])(OC2=O)[H])C)[H])(C(=O)C)[H])[H] |
| SPLASH | splash10-0006-9100100000-ff6639c8e6236cdcd282 |
| Source of Spectrum | X2-55-864-1 |
| Wiley ID | 1604524 |