SpectraBase Compound ID | EQl02Q9Jrbg |
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InChI | InChI=1S/C28H49O.CH3.Hg/c1-18(2)9-8-10-19(3)23-11-12-24-22-17-28(21(5)29)20(4)13-16-27(28,7)25(22)14-15-26(23,24)6;;/h18-25,29H,4,8-17H2,1-3,5-7H3;1H3;/t19-,20+,21-,22+,23-,24+,25+,26-,27-,28-;;/m1../s1 |
InChIKey | FQBLPUIKLXGACD-KVOJPWMWSA-N |
Mol Weight | 617.3 g/mol |
Molecular Formula | C29H52HgO |
Exact Mass | 618.37246 g/mol |
SpectraBase Spectrum ID | 1R2i4SFv82V |
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Name | 5-(HYDROXYMETHYL)-6-EPSILON-METHYL-3-BETA-[(METHYLMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE;MAJOR-ISOMER |
Compound Number | 25 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C29H52HgO |
InChI | InChI=1S/C28H49O.CH3.Hg/c1-18(2)9-8-10-19(3)23-11-12-24-22-17-28(21(5)29)20(4)13-16-27(28,7)25(22)14-15-26(23,24)6;;/h18-25,29H,4,8-17H2,1-3,5-7H3;1H3;/t19-,20+,21-,22+,23-,24+,25+,26-,27-,28-;;/m1../s1 |
InChIKey | FQBLPUIKLXGACD-KVOJPWMWSA-N |
Literature Reference Author | P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER |
Literature Reference Citation | J.ORG.CHEM.,64,101(1999) |
Literature Reference DOI | 10.1021/jo9812882 |
Molecular Weight | 617.321 g/mol |
Sample ID | 39157 |
Solvent | CDCl3 |