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Chemical synthesis

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  1. Mestranol, Estrogen receptor alpha agonist
    Cas Number: 72-33-3        EC Number: 200-777-8
    Formula:  C21H26O2        Molecular Weight: 310.43
    IUPAC Name:  (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
    SMILES:  CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
    InChIKey: IMSSROKUHAOUJS-MJCUULBUSA-N
    InChI:  InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/mshow more
    Synonyms: NSC 84032 | 17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol | MESTRANOL [WHO-DD] | AI3-51798 | Inostral | ...
  2. Bisphenol A, Antagonist of Androgen receptor;Agonist of Estrogen receptor-β
    Cas Number: 80-05-7        EC Number: 201-245-8
    Formula:  C15H16O2        Molecular Weight: 228.29
    IUPAC Name:  4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
    SMILES:  CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
    Synonyms: 2,2-Bis(4-hydroxyphenyl)propane | 4,4'-Isopropylidenediphenol
  3. 4,4′-(Hexafluoroisopropylidene)diphenol
      Grade & Purity: 
    • ≥98%(GC)
    Cas Number: 1478-61-1        EC Number: 216-036-7
    Formula:  C15H10F6O2        Molecular Weight: 336.23
    IUPAC Name:  4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
    SMILES:  C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O
    InChIKey: ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
    Synonyms: Bisphenol??AF, analytical standard | Phenol,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- | Tox21_201467 | 4...
  4. 1,1-Bis(4-hydroxyphenyl)-2-phenyl-1-butene
      Grade & Purity: 
    • ≥95%
    Cas Number: 91221-46-4
    Formula:  C22H20O2        Molecular Weight: 316.4
    IUPAC Name:  4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenol
    SMILES:  CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
    InChIKey: BPKSDMHGDYTXLI-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
    Synonyms: 4,4''-(2-phenylbut-1-ene-1,1-diyl)diphenol | 4,4'-(2-phenylbut-1-ene-1,1-diyl)diphenol | 4,4-(2-Phenylbut-1-ene-1,1-d...
  5. 2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol
      Grade & Purity: 
    • ≥98%
    Cas Number: 63676-22-2
    Formula:  C14H10O2S        Molecular Weight: 242.29
    IUPAC Name:  2-(4-hydroxyphenyl)-1-benzothiophen-6-ol
    SMILES:  C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)O)O
    InChIKey: MDGWZLQPNOETLH-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
    Synonyms: 6-HYDROXY-2-(4-HYDROXYPHENYL)-BENZO(B)THIOPHENE | FT-0709145 | DB08773 | DTXSID70332204 | H1628 | AC-8398 | MFCD16619...
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