SpectraBase Compound ID | 2JRZS87B4EN |
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InChI | InChI=1S/C27H45O.CH3.Hg/c1-18(2)8-7-9-19(3)23-11-10-22-14-21-15-27(17-28)20(4)12-13-26(27,6)24(21)16-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H3;/t19-,20+,21?,22+,23-,24?,25+,26-,27?;;/m1../s1/i17D;; |
InChIKey | LQGUAWQWZDGXHS-ZTBYRVERSA-N |
Mol Weight | 602.3 g/mol |
Molecular Formula | C28H47DHgO |
Exact Mass | 603.347437 g/mol |
SpectraBase Spectrum ID | DhTKtn9vYfQ |
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Name | [6-2H]-A,B-Bisnor-3.beta.-[(methylmercurio)methyl]-5.beta.-cholestan-5-carbaldehyde |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C28H47DHgO |
InChI | InChI=1S/C27H45O.CH3.Hg/c1-18(2)8-7-9-19(3)23-11-10-22-14-21-15-27(17-28)20(4)12-13-26(27,6)24(21)16-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H3;/t19-,20+,21?,22+,23-,24?,25+,26-,27?;;/m1../s1/i17D;; |
InChIKey | LQGUAWQWZDGXHS-ZTBYRVERSA-N |
Molecular Weight | 602.289 g/mol |
SMILES | [C@]12(C(CC3C2C[C@@]2([C@](CC[C@@]2([H])C3)([C@@](CCCC(C)C)(C)[H])[H])C)(C(=O)[D])[C@@](C[Hg]C)(CC1)[H])C |
SPLASH | splash10-0150-0009000000-7d08d31e642c459db1d6 |
Source of Spectrum | J-64-112-15 |
Wiley ID | 848908 |