Basic Information |
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| Product Name: | CASCARIN |
| CAS: | 60529-33-1 |
| English Synonyms: | CASCARIN ; FRANGULIN |
| MDL Number.: | MFCD00135150 |
| H bond acceptor: | 9 |
| H bond donor: | 5 |
| Smile: | Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)OC4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C2=O |
| InChi: | InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21?/m0/s1 |
| InChiKey: | InChIKey=DTTVUKLWJFJOHO-NXTHJCGOSA-N |
Property |
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| Melting Point: | 215 DEG C |
Safety information |
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