| SpectraBase Compound ID | 8hn8aD5cagW |
|---|---|
| InChI | InChI=1S/C25H39BrO2/c1-16(11-14-26)21-7-8-22-20-6-5-18-15-19(28-17(2)27)9-12-24(18,3)23(20)10-13-25(21,22)4/h5,16,19-23H,6-15H2,1-4H3/t16-,19+,20?,21?,22?,23?,24+,25-/m1/s1 |
| InChIKey | YJAWDLVHAQZQDW-OOJYHIJCSA-N |
| Mol Weight | 451.5 g/mol |
| Molecular Formula | C25H39BrO2 |
| Exact Mass | 450.213343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2IgGadpc9q8 |
|---|---|
| Name | 24-Bromo-23-nor-5-cholen-3.beta.-ol acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H39BrO2 |
| InChI | InChI=1S/C25H39BrO2/c1-16(11-14-26)21-7-8-22-20-6-5-18-15-19(28-17(2)27)9-12-24(18,3)23(20)10-13-25(21,22)4/h5,16,19-23H,6-15H2,1-4H3/t16-,19+,20?,21?,22?,23?,24+,25-/m1/s1 |
| InChIKey | YJAWDLVHAQZQDW-OOJYHIJCSA-N |
| Molecular Weight | 451.489 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CCC1[C@@](CCBr)(C)[H])C |
| SPLASH | splash10-0007-0369000000-9fab259e63704c1fa3c4 |
| Source of Spectrum | OV-1-293-5 |
| Wiley ID | 1547575 |