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Basic Information |
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Product Name: | RUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)- |
CAS: | 21884-44-6 |
English Synonyms: | RUGULOSIN, 8,8'-DIHYDROXY-, (1S,1'S,2R,2'R,3S,3'S,9AR,9'AR)- |
MDL Number.: | MFCD01745027 |
H bond acceptor: | 12 |
H bond donor: | 8 |
Smile: | Cc1cc(c2c(c1O)C(=O)[C@]34C[C@H]5C(C6C3C([C@H](C[C@@]67C(=O)c8c(c(cc(c8O)C)O)C(=O)C7=C5O)C(=C4C2=O)O)O)O)O |
InChi: | InChI=1S/C32H26O12/c1-7-3-11(33)13-15(21(7)35)29(43)31-5-9-24(38)18-17(31)23(37)10(25(39)19(31)27(13)41)6-32(18)20(26(9)40)28(42)14-12(34)4-8(2)22(36)16(14)30(32)44/h3-4,9-10,17-18,23-24,33-40H,5-6H2,1-2H3/t9-,10-,17?,18?,23?,24?,31+,32+/m0/s1 |
InChiKey: | InChIKey=BEBWNALQMAKOHO-BAGMIIOASA-N |
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