basic_info |
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| Product_Name: | METHYL (11-BETA)-((11,17-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL)SULFINYL)ACETATE |
| CAS: | 114967-90-7 |
| EnglishSynonyms: | METHYL (11-BETA)-((11,17-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL)SULFINYL)ACETATE |
| pro_mdlNumber: | MFCD01672061 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CS(=O)CC(=O)OC)O)C)O |
| InChi: | InChI=1S/C24H34O7S/c1-22-8-6-15(25)10-14(22)4-5-16-17-7-9-24(29,23(17,2)11-18(26)21(16)22)19(27)12-32(30)13-20(28)31-3/h10,16-18,21,26,29H,4-9,11-13H2,1-3H3/t16-,17-,18-,21+,22-,23-,24-,32?/m0/s1 |
| InChiKey: | InChIKey=WJKDLBXZAGCOBZ-VENVPCCMSA-N |
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