| SpectraBase Compound ID | KP22HpfRDxU |
|---|---|
| InChI | InChI=1S/C31H42/c1-20-11-13-25-26(19-23-10-7-9-22(3)29(23)25)24(20)14-15-27-21(2)12-16-28-30(4,5)17-8-18-31(27,28)6/h7,9-11,13,21,27-28H,8,12,14-19H2,1-6H3/t21-,27-,28-,31+/m0/s1 |
| InChIKey | DQYXIJBICUCXCT-RESSEFRUSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C31H42 |
| Exact Mass | 414.328651 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GoTBvwneSQ7 |
|---|---|
| Name | 8(14)-secohopanoid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H42 |
| InChI | InChI=1S/C31H42/c1-20-11-13-25-26(19-23-10-7-9-22(3)29(23)25)24(20)14-15-27-21(2)12-16-28-30(4,5)17-8-18-31(27,28)6/h7,9-11,13,21,27-28H,8,12,14-19H2,1-6H3/t21-,27-,28-,31+/m0/s1 |
| InChIKey | DQYXIJBICUCXCT-RESSEFRUSA-N |
| Molecular Weight | 414.677 g/mol |
| SMILES | c12c(-c3c(cccc3C2)C)ccc(c1CC[C@@]1([C@@]2([C@@](C(C)(C)CCC2)([H])CC[C@@]1(C)[H])C)[H])C |
| SPLASH | splash10-0bt9-5670900000-7a86a2486639a72c946c |
| Source of Spectrum | AT-39-3024-1 |
| Wiley ID | 854179 |