| SpectraBase Spectrum ID |
AGENaZp9vF1 |
| Name |
(1S,8R,8aR) 4-oxo-8-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl 4-(methylthio)benzoate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H20O4S |
| InChI |
InChI=1S/C23H20O4S/c1-28-17-12-10-16(11-13-17)22(25)27-23-21-18(15-6-3-2-4-7-15)8-5-9-19(21)20(24)14-26-23/h2-13,18,21,23H,14H2,1H3/t18-,21+,23-/m0/s1 |
| InChIKey |
RYJYEWLFEFYKKK-ZEYPLWLESA-N |
| Literature Reference DOI |
10.1021/ol301602h |
| Molecular Weight |
392.469 g/mol |
| SMILES |
C1=C[C@]([C@@]2([H])[C@@](OCC(C2=C1)=O)(OC(=O)c1ccc(cc1)SC)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-00fr-4593000000-eb6ec1afa6990f0d445d |
| Source of Spectrum |
A1-14-3740/SMS12-4u |
| Synonyms |
(1S,8R,8aR)-4-oxo-8-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl 4-(methylthio)benzoate |
| Wiley ID |
1750443 |
