| SpectraBase Compound ID | GWfSaAexOej |
|---|---|
| InChI | InChI=1S/C31H47BrO/c1-22(8-7-19-32)27-13-14-28-26-12-11-24-20-25(33-21-23-9-5-4-6-10-23)15-17-30(24,2)29(26)16-18-31(27,28)3/h4-6,9-10,22,24-29H,7-8,11-21H2,1-3H3/t22-,24?,25-,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | NOKGKBXJRQFALH-FAQMPFIMSA-N |
| Mol Weight | 515.6 g/mol |
| Molecular Formula | C31H47BrO |
| Exact Mass | 514.281029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GqaUXUxCwep |
|---|---|
| Name | 3.alpha.-Benzyloxy-24-bromocholane |
| Alternate Name(s) | (3alpha)-3-(benzyloxy)-24-bromocholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47BrO |
| InChI | InChI=1S/C31H47BrO/c1-22(8-7-19-32)27-13-14-28-26-12-11-24-20-25(33-21-23-9-5-4-6-10-23)15-17-30(24,2)29(26)16-18-31(27,28)3/h4-6,9-10,22,24-29H,7-8,11-21H2,1-3H3/t22-,24?,25-,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | NOKGKBXJRQFALH-FAQMPFIMSA-N |
| Molecular Weight | 515.620 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](OCc2ccccc2)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCBr)(C)[H])[H])[H])C |
| SPLASH | splash10-0a4l-5650930000-7aa5466b3c7a6c23ac41 |
| Source of Spectrum | F-48-9947-5 |
| Wiley ID | 1401177 |