| SpectraBase Spectrum ID |
ExMyMSUy2jA |
| Name |
(1S,2S,4R,8S)-2,4-dimethoxy-2-[(methylthio)methyl]-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid tert-butyl ester |
| Alternate Name(s) |
(1S,2S,4R,8S)-3-keto-2,4-dimethoxy-2-[(methylthio)methyl]bicyclo[2.2.2]oct-5-ene-8-carboxylic acid tert-butyl ester
tert-butyl (1S,2S,4R,8S)-2,4-dimethoxy-2-(methylsulfanylmethyl)-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carboxylate
tert-butyl (1S,2S,4R,8S)-2,4-dimethoxy-2-(methylsulfanylmethyl)-3-oxo-bicyclo[2.2.2]oct-5-ene-8-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H26O5S |
| InChI |
InChI=1S/C17H26O5S/c1-15(2,3)22-13(18)12-9-11-7-8-16(12,20-4)14(19)17(11,21-5)10-23-6/h7-8,11-12H,9-10H2,1-6H3/t11-,12-,16-,17+/m1/s1 |
| InChIKey |
LHBANDQIANPYNQ-SKNMWMDOSA-N |
| Molecular Weight |
342.450 g/mol |
| SMILES |
[C@@]12([C@@](C(OC(C)(C)C)=O)(C[C@@](C=C2)([C@@](C1=O)(OC)CSC)[H])[H])OC |
| SPLASH |
splash10-004i-0910000000-f858fe8763361076ba3a |
| Source of Spectrum |
KC-0-567-8 |
| Wiley ID |
787510 |
![(1S,2S,4R,8S)-2,4-dimethoxy-2-[(methylthio)methyl]-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid tert-butyl ester](/api/spectrum/ExMyMSUy2jA/structure.png?h=300&w=458 "(1S,2S,4R,8S)-2,4-dimethoxy-2-[(methylthio)methyl]-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid tert-butyl ester")
