| SpectraBase Spectrum ID |
8pMHhU7SxJ9 |
| Name |
4'-Phenylthio-rot-2'-enonic acid |
| Alternate Name(s) |
9-Hydroxy-2,3-dimethoxy-8-[(2Z)-3-methyl-4-(phenylsulfanyl)-2-butenyl]-6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one |
| CAS Registry Number |
70145-43-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H28O6S |
| InChI |
InChI=1S/C29H28O6S/c1-17(16-36-18-7-5-4-6-8-18)9-10-19-22(30)12-11-20-28(31)27-21-13-24(32-2)25(33-3)14-23(21)34-15-26(27)35-29(19)20/h4-9,11-14,26-27,30H,10,15-16H2,1-3H3/b17-9- |
| InChIKey |
QUXYWIMIYBPXTB-MFOYZWKCSA-N |
| Molecular Weight |
504.597 g/mol |
| SMILES |
Oc1c(c2c(C(=O)C3C(O2)COc2cc(OC)c(cc32)OC)cc1)C\C=C/(CSc1ccccc1)C |
| SPLASH |
splash10-0006-0910000000-c214195c35baa22da4fa |
| Source of Spectrum |
J-44-2580-0 |
| Wiley ID |
1399586 |
