| SpectraBase Compound ID | 9Y0IEceYFHW |
|---|---|
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-25,28H,6-11,14-18H2,1-5H3/b13-12+/t21-,24-,25-,27-/m1/s1 |
| InChIKey | ZPZNWLRQHDLNNV-CBSCRHSWSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DTYcYsfzjtx |
|---|---|
| Name | Isotachysterol3 |
| CAS Registry Number | 22350-43-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-25,28H,6-11,14-18H2,1-5H3/b13-12+/t21-,24-,25-,27-/m1/s1 |
| InChIKey | ZPZNWLRQHDLNNV-CBSCRHSWSA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | O[C@]1(CC(\C=C\C2=C3[C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CCC2)C)=C(CC1)C)[H] |
| SPLASH | splash10-001i-2059000000-d0662bc897d2af9e057e |
| Source of Spectrum | J-43-3443-0 |
| Wiley ID | 1361967 |