basic_info |
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| Product_Name: | 1,3,5(10),6-ESTRATETRAEN-3,17BETA-DIOL |
| CAS: | 7291-41-0 |
| EnglishSynonyms: | 1,3,5(10),6-ESTRATETRAEN-3,17BETA-DIOL ; 6-DEHYDROESTRADIOL ; DELTA-6(7)-ESTRADIOL |
| pro_mdlNumber: | MFCD00271643 |
| pro_acceptors: | 2 |
| pro_donors: | 2 |
| pro_smile: | C[C@]12CC[C@@H]3c4ccc(cc4C=C[C@H]3[C@@H]1CC[C@@H]2O)O |
| InChi: | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
| InChiKey: | InChIKey=VVLCELUSWGWMSW-ZBRFXRBCSA-N |
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