Basic Information |
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| Product Name: | DIETHYL STILBESTROL BETA-D-GLUCURONIDE |
| CAS: | 2408-40-4 |
| English Synonyms: | DIETHYL STILBESTROL BETA-D-GLUCURONIDE ; DIETHYLSTILBESTROL MONOGLUCURONIDE ; STILBESTROL MONOGLUCURONIDE ; 4-[(1E)-1-ETHYL-2-(4-HYDROXYPHENYL)-1-BUTEN-1-YL]PHENYL BETA-D-GLUCOPYRANOSIDURONIC ACID |
| MDL Number.: | MFCD00063847 |
| H bond acceptor: | 8 |
| H bond donor: | 5 |
| Smile: | CC/C(=C(/CC)\c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/c3ccc(cc3)O |
| InChi: | InChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1 |
| InChiKey: | InChIKey=LJMPVHCKUXKZAV-PDSLVOJVSA-N |
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