basic_info |
|
| Product_Name: | A 64922 |
| CAS: | 102647-16-5 |
| EnglishSynonyms: | A 64922 |
| pro_mdlNumber: | MFCD03265605 |
| pro_acceptors: | 26 |
| pro_donors: | 8 |
| pro_smile: | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@H]3[C@@H](Cc4cc5cc(cc(c5c(c4C3=O)O)O)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)OC(=O)C)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)OC)O[C@H]8C[C@]([C@H]([C@@H](O8)C)OC(=O)C(C)C)(C)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O |
| InChi: | InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)82-37-19-41(75-26(6)52(37)71-11)81-38-20-40(76-27(7)53(38)78-29(9)60)79-32-14-30-13-31-15-33(54(72-12)51(68)46(63)23(3)59)55(50(67)45(31)49(66)44(30)34(61)16-32)83-42-18-36(48(65)25(5)74-42)80-39-17-35(62)47(64)24(4)73-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39+,40+,41-,42+,43+,46+,47-,48-,52+,53-,54+,55+,56+,58+/m1/s1 |
| InChiKey: | InChIKey=DNCDVHHCASHDQX-TXPWEHBDSA-N |
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