| SpectraBase Compound ID | DNnw9sc9zeD |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21?,24?,25?,26+,27?,28+,29-/m1/s1 |
| InChIKey | RUVUHIUYGJBLGI-GGPBJSGESA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KIfORFj0dLz |
|---|---|
| Name | .beta.-Sitostenone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21?,24?,25?,26+,27?,28+,29-/m1/s1 |
| InChIKey | RUVUHIUYGJBLGI-GGPBJSGESA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12([C@](C3CCC=4[C@@](C3CC2)(CCC(=O)C4)C)(CCC1[C@@](CCC(C(C)C)CC)(C)[H])[H])C |
| SPLASH | splash10-03k9-0600900000-25775d25ed1d106b016f |
| Source of Spectrum | QA-44-323-17 |
| Wiley ID | 862432 |