basic_info |
|
| Product_Name: | 20-HYDROXYECDYSONE 22-ACETATE |
| CAS: | 22799-02-6 |
| EnglishSynonyms: | 7-CHOLESTENE-2BETA,3BETA,14,20,22(R),25-HEXOL-6-ONE 22-ACETATE ; 20-HYDROXYECDYSONE 22-ACETATE ; 2BETA,3BETA,14,20,22(R),25-HEXAHYDROXY-7-CHOLESTEN-6-ONE 22-ACETATE |
| pro_mdlNumber: | MFCD00079355 |
| pro_acceptors: | 8 |
| pro_donors: | 5 |
| pro_smile: | CC(=O)O[C@H](CCC(C)(C)O)[C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)C4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O |
| InChi: | InChI=1S/C29H46O8/c1-16(30)37-24(9-10-25(2,3)34)28(6,35)23-8-12-29(36)18-13-20(31)19-14-21(32)22(33)15-26(19,4)17(18)7-11-27(23,29)5/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19?,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1 |
| InChiKey: | InChIKey=YAIZECBIJHIPCU-HUWDXGSFSA-N |
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