| SpectraBase Spectrum ID |
1Vn2N7SS79a |
| Name |
5-[(1S,3aS,5R,6S,6aS)-5-(tert-Butyl-dimethyl-silanyloxy)-6-cyano-1-(dimethyl-phenyl-silanyl)-hexahydro-pentalen-(2E)-ylidene]-pentanoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H45NO3Si2 |
| InChI |
InChI=1S/C29H45NO3Si2/c1-29(2,3)35(7,8)33-25-19-22-18-21(14-12-13-17-26(31)32-4)28(27(22)24(25)20-30)34(5,6)23-15-10-9-11-16-23/h9-11,14-16,22,24-25,27-28H,12-13,17-19H2,1-8H3/b21-14+/t22-,24-,25+,27-,28+/m0/s1 |
| InChIKey |
HWBJUFNBJDFOGR-DDOMVHAPSA-N |
| Molecular Weight |
511.853 g/mol |
| SMILES |
[C@]1([C@@]2([C@]([C@](O[Si](C(C)(C)C)(C)C)(C[C@]2([H])C\C1=C\CCCC(=O)OC)[H])(C#N)[H])[H])([Si](c1ccccc1)(C)C)[H] |
| SPLASH |
splash10-000i-0900040000-81114d6b4006d547f7cb |
| Source of Spectrum |
KC-0-2677-18 |
| Synonyms |
(E)-(1SR,2SR,5SR,7RS,8SR)-2-Dimethylphenylsilyl-3-(4'-Methoxycarbonylbutylidene)-7-tert-Butyldimethylsilyloxy-8-cyanobicyclo[3.3.0]octane
methyl (5E)-5-((1S,3aS,5R,6S,6aS)-5-{[tert-butyl(dimethyl)silyl]oxy}-6-cyano-1-[dimethyl(phenyl)silyl]hexahydro-2(1H)-pentalenylidene)pentanoate |
| Wiley ID |
826094 |
![(E)-(1SR,2SR,5SR,7RS,8SR)-2-DIMETHYLPHENYLSILYL-3-(4ï-METHOXYCARBONYLBUTYLIDENE)-7-TERT.-BUTYLDIMETHYLSILYLOXY-8-CYANOBICYCLO-[3.3.0]-OCTAN2](/api/spectrum/1Vn2N7SS79a/structure.png?h=300&w=458 "(E)-(1SR,2SR,5SR,7RS,8SR)-2-DIMETHYLPHENYLSILYL-3-(4ï-METHOXYCARBONYLBUTYLIDENE)-7-TERT.-BUTYLDIMETHYLSILYLOXY-8-CYANOBICYCLO-[3.3.0]-OCTAN2")
