basic_info |
|
| Product_Name: | 5BETA-PREGNAN-3ALPHA,12ALPHA,17-TRIOL-20-ONE |
| EnglishSynonyms: | 5BETA-PREGNAN-3ALPHA,12ALPHA,17-TRIOL-20-ONE |
| pro_mdlNumber: | MFCD00271929 |
| pro_acceptors: | 4 |
| pro_donors: | 3 |
| pro_smile: | CC(=O)[C@]1(CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O |
| InChi: | InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)17(15)11-18(24)20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18+,19+,20-,21+/m1/s1 |
| InChiKey: | InChIKey=SPWJWBOHMLHPLO-MNHQXCJMSA-N |
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