δ6,7-fulvestrant (Q27260986)

Fulvestrant Impurity E (English)

14 October 2016

chemical formula

C₃₂H₄₅F₅O₃S

1 reference

Fulvestrant Impurity E (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2O)C(=CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

1 reference

Fulvestrant Impurity E (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(=CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

1 reference

Fulvestrant Impurity E (English)

InChI=1S/C32H45F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,20-21,26-29,38-39H,2-10,13-19H2,1H3/t26-,27+,28+,29-,30+,41?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Fulvestrant Impurity E (English)

NKMFFYOPQZINKX-IGFVOJFVSA-N

14 October 2016

InChIKey

1 reference

Fulvestrant Impurity E (English)

14 October 2016

1 reference

{9-[(17beta)-3,17-Dihydroxyestra-1,3,5(10),6-tetraen-7-yl]nonyl}(4,4,5,5,5-pentafluoropentyl)sulfoniumolate (English)

14 October 2016

2 references

Fulvestrant Impurity E (English)

matched by identifier from

14 October 2016

InChIKey

NKMFFYOPQZINKX-IGFVOJFVSA-N

1 reference

2 references

Global Substance Registration System

UNII

52A05VPF7S

δ6,7-fulvestrant (English)