basic_info |
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| Product_Name: | 5ALPHA-PREGNAN-3BETA,11BETA,17,20BETA,21-PENTOL |
| EnglishSynonyms: | 5ALPHA-PREGNAN-3BETA,11BETA,17,20BETA,21-PENTOL ; REICHSTEIN'S SUBSTANCE ''A'' ; REICHSTEIN'S SUBSTANCE A ; KENDALL'S COMPOUND ''O'' ; 5ALPHA-PREGNAN-3BETA,11BETA,17ALPHA,20BETA,21-PENTOL ; WINTERSTEINER'S COMPOUND A |
| pro_mdlNumber: | MFCD00070059 |
| pro_acceptors: | 5 |
| pro_donors: | 5 |
| pro_smile: | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](CO)O)O)C)O)O |
| InChi: | InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18+,19-,20-,21-/m0/s1 |
| InChiKey: | InChIKey=FFPUNPBUZDTHJI-ISKWUEMLSA-N |
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