| SpectraBase Compound ID | FjhGoPM5ojv |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(2)21(14-17-32-31)7-6-20(3)25-10-11-26-24-9-8-22-18-23(30)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,14,19-20,23-27,30-31H,6-7,9-13,15-18H2,1-5H3/b21-14-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | QQFQTVKOYPPUOZ-ICMFXIIESA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DHgDPqpisNt |
|---|---|
| Name | 29-Hydroperoxystigmasta-5,24(28)-dien-3.beta.-ol |
| Alternate Name(s) | (3beta,24Z)-29-hydroperoxystigmasta-5,24(28)-dien-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(2)21(14-17-32-31)7-6-20(3)25-10-11-26-24-9-8-22-18-23(30)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,14,19-20,23-27,30-31H,6-7,9-13,15-18H2,1-5H3/b21-14-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | QQFQTVKOYPPUOZ-ICMFXIIESA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](CC\C(=C\COO)C(C)C)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-01q9-0098100000-c8d66d87621364b348f9 |
| Source of Spectrum | QA-38-503-3 |
| Wiley ID | 861364 |