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Estradiol Dimer Impurity 1

SZ CAT No SZ-E031030
CAS No NA
Mol.F. C47H55N7O4
Mol.Wt. 782.0
Inv. Status Custom Synthesis


Chemical Name: (8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-((Pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-1,4-diyl))bis(13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol)

Smiles: OC(C=C1)=CC2=C1[C@]3([H])[C@](CC2)([H])[C@]([C@]4(C)CC3)([H])CC[C@@]4(O)C(N=N5)=CN5CC6=CC=CC(CN7N=NC([C@@]8(O)[C@](CC[C@@]9([H])[C@@]%10([H])CCC%11=C9C=CC(O)=C%11)(C)[C@@]%10([H])CC8)=C7)=N6

Inchi: InChI=1S/2C36H46O4/c1-35-15-13-24-23-8-5-22(17-20(23)3-6-26(24)29(35)9-11-33(35)38)40-32-19-28-21(18-31(32)37)4-7-27-25(28)14-16-36(2)30(27)10-12-34(36)39;1-35-17-15-24-22-6-4-21(19-20(22)3-5-26(24)29(35)10-13-32(35)38)40-34-28-8-7-27-25(23(28)9-12-31(34)37)16-18-36(2)30(27)11-14-33(36)39/h5,8,17-19,24-27,29-30,33-34,37-39H,3-4,6-7,9-16H2,1-2H3;4,6,9,12,19,24-27,29-30,32-33,37-39H,3,5,7-8,10-11,13-18H2,1-2H3/t24?,25?,26?,27?,29?,30?,33-,34-,35-,36-;24?,25?,26?,27?,29?,30?,32-,33-,35-,36-/m00/s1

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