| SpectraBase Compound ID | GHFEtxpcSDN |
|---|---|
| InChI | InChI=1S/C27H42O6/c1-23(2)9-8-22(33-23)26(5,31)21-7-11-27(32)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-32H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21-,22-,24+,25+,26+,27+/m0/s1 |
| InChIKey | JWXMXJQGIRXWDG-ZZFYSJJWSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C27H42O6 |
| Exact Mass | 462.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5QdX0TACkb7 |
|---|---|
| Name | Shidasterone - 22s - analogue |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O6 |
| InChI | InChI=1S/C27H42O6/c1-23(2)9-8-22(33-23)26(5,31)21-7-11-27(32)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-32H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21-,22-,24+,25+,26+,27+/m0/s1 |
| InChIKey | JWXMXJQGIRXWDG-ZZFYSJJWSA-N |
| Molecular Weight | 462.627 g/mol |
| SMILES | O[C@]([C@@]1([C@@]2([C@](C3=CC([C@@]4(C[C@]([C@](C[C@@]4(C3CC2)C)(O)[H])(O)[H])[H])=O)(CC1)O)C)[H])([C@]1(OC(C)(C)CC1)[H])C |
| SPLASH | splash10-004i-0009700000-b1fdab8f5cc6d3fd2208 |
| Source of Spectrum | MN-1999-122-2 |
| Wiley ID | 1546393 |