7FQ

(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol


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Chemical Component Summary

Name(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol
Identifiers(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-16-[(4-methoxyphenyl)methyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
FormulaC26 H32 O3
Molecular Weight392.53
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O
InChIInChI=1S/C26H32O3/c1-26-12-11-22-21-10-6-19(27)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-7-20(29-2)8-4-16/h3-4,6-8,10,14,18,22-25,27-28H,5,9,11-13,15H2,1-2H3/t18-,22+,23+,24-,25-,26-/m0/s1
InChIKeyBREKPNLFASZYNM-NIPAYODJSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count6
Bond Count65
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137348609