| SpectraBase Compound ID | IfTzZ63XIx0 |
|---|---|
| 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+/m0/s1 |
| InChIKey | RUVUHIUYGJBLGI-BCZOYAQRSA-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 | 3XDtN8wcSav |
|---|---|
| Name | .beta.-Sitostenone |
| 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+/m0/s1 |
| InChIKey | RUVUHIUYGJBLGI-BCZOYAQRSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12(C(C3CCC=4[C@@](C3CC2)(CCC(=O)C4)C)CCC1C(CCC(C(C)C)CC)C)C |
| SPLASH | splash10-006x-9821300000-f8b32de2656a2e2cb3f7 |
| Source of Spectrum | QA-47-559-17 |
| Wiley ID | 863520 |