Basic Information |
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Product Name: | ESTRIOL 3-BENZYL ETHER |
CAS: | 18650-87-8 |
English Synonyms: | ESTRIOL 3-BENZYL ETHER ; ESTRIOL IMPURITY C |
MDL Number.: | MFCD00056546 |
H bond acceptor: | 3 |
H bond donor: | 2 |
Smile: | C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)OCc5ccccc5 |
InChi: | InChI=1S/C25H30O3/c1-25-12-11-20-19-10-8-18(28-15-16-5-3-2-4-6-16)13-17(19)7-9-21(20)22(25)14-23(26)24(25)27/h2-6,8,10,13,20-24,26-27H,7,9,11-12,14-15H2,1H3/t20-,21-,22+,23-,24+,25+/m1/s1 |
InChiKey: | InChIKey=GDUPBUZZJUIEDX-RIQJQHKOSA-N |
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