| SpectraBase Compound ID | 2iqgOenU9Xk |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19?,20?,21?,22?,23-,24+,27?,28+,29?,30-/m0/s1 |
| InChIKey | RQBNSDSKUAGBOI-LUNJPUNESA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 19bto7JVGvF |
|---|---|
| Name | 3-Epiocotillol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19?,20?,21?,22?,23-,24+,27?,28+,29?,30-/m0/s1 |
| InChIKey | RQBNSDSKUAGBOI-LUNJPUNESA-N |
| Molecular Weight | 460.743 g/mol |
| SMILES | OC([C@@]1(O[C@](C2C3[C@](C4(CCC5C([C@](CCC5(C4CC3)C)(O)[H])(C)C)C)(CC2)C)(CC1)C)[H])(C)C |
| SPLASH | splash10-0006-1900200000-d8788afe8a3007b01e9c |
| Source of Spectrum | X4-16-370-0 |
| Wiley ID | 1585313 |