| Name： | 1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL 6-ONE 6-O-CARBOXYMETHYLOXIME |
| CAS： | 37654-41-4 |
| Synonyms： | 6-KETOESTRIOL 6-CMO ; ESTRIOL 6-CMO ; 3,16ALPHA,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIEN-6-ONE 6-(O-CARBOXYMETHYL)OXIME ; 1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL 6-ONE 6-O-CARBOXYMETHYLOXIME ; 6-KETOESTRIOL 6-(O-CARBOXYMETHYL)OXIME ; ESTRIOL-6-ONE-6-(O-CARBOXYMETHYL)OXIME |
| MDL.： | MFCD00271597 |
| H bond acceptor： | 7 |
| H bond donor： | 4 |
| Smile： | C[C@]12CC[C@@H]3c4ccc(cc4/C(=N/OCC(=O)O)/C[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O |
| InChi： | InChI=1S/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16+/t12-,13-,15+,17-,19+,20+/m1/s1 |
| InChiKey： | InChIKey=HXNCOPXZMVYOSZ-WJHISOIHSA-N |
1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL 6-ONE 6-O-CARBOXYMETHYLOXIME
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