| SpectraBase Compound ID | 6H8VxnMfTZz |
|---|---|
| InChI | InChI=1S/C27H43BrO/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28)16-27(19,5)23(20)13-14-26(21,22)4/h9,17-18,20-24H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23+,24-,26-,27+/m1/s1 |
| InChIKey | SCYJTQAIJDMROP-USVQCIGHSA-N |
| Mol Weight | 463.5 g/mol |
| Molecular Formula | C27H43BrO |
| Exact Mass | 462.249729 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fd7BU67QgjG |
|---|---|
| Name | 2-ALPHA-BROMO-CHOLEST-5(6)-EN-3-ONE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H43BrO |
| InChI | InChI=1S/C27H43BrO/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28)16-27(19,5)23(20)13-14-26(21,22)4/h9,17-18,20-24H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23+,24-,26-,27+/m1/s1 |
| InChIKey | SCYJTQAIJDMROP-USVQCIGHSA-N |
| Literature Reference Author | J.ROMER,S.SCHELLER,G.GROSSMANN |
| Literature Reference Citation | J.PRAKT.CHEM.,326,273(1984) |
| Literature Reference DOI | 10.1002/prac.19843260212 |
| Molecular Weight | 463.542 g/mol |
| Solvent | Unknown |
| Source File Reference | UWCS11180 |