basic_info |
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Product_Name: | (21-ACO-11,20-DIOXO-5-BETA-PREGNAN-3-A-YL)-O-DI-AC-A-D-GLUCURONIDO-ORTHOACETATE |
EnglishSynonyms: | (21-ACO-11,20-DIOXO-5-BETA-PREGNAN-3-A-YL)-O-DI-AC-A-D-GLUCURONIDO-ORTHOACETATE |
pro_mdlNumber: | MFCD00670588 |
pro_acceptors: | 14 |
pro_donors: | 0 |
pro_smile: | CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CC[C@H](C4)OC5(O[C@@H]6[C@H]([C@@H]([C@H](O[C@@H]6O5)C(=O)OC)OC(=O)C)OC(=O)C)C)C)C |
InChi: | InChI=1S/C36H50O14/c1-17(37)44-16-26(41)24-11-10-23-22-9-8-20-14-21(12-13-34(20,4)27(22)25(40)15-35(23,24)5)48-36(6)49-31-29(46-19(3)39)28(45-18(2)38)30(32(42)43-7)47-33(31)50-36/h20-24,27-31,33H,8-16H2,1-7H3/t20?,21-,22?,23?,24?,27?,28+,29+,30+,31-,33-,34?,35?,36?/m1/s1 |
InChiKey: | InChIKey=OJZTVUNGRZHGHO-LPCIWMQYSA-N |
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