Basic Information |
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Product Name: | VACCARIN |
CAS: | 53452-16-7 |
English Synonyms: | VACCARIN |
MDL Number.: | MFCD20487836 |
H bond acceptor: | 19 |
H bond donor: | 12 |
Smile: | c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
InChi: | InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17+,18+,21-,22+,23+,25-,26-,27+,28+,29-,30+,31-,32+/m0/s1 |
InChiKey: | InChIKey=GYIKGLVKALOGDP-HLEFUGOVSA-N |
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