7,7'-nonane-1,9-diylbis(estra-1,3,5(10)-triene-3,17β-diol) (Q27231285)

Fulvestrant Impurity D (English)

13 October 2016

chemical formula

C₄₅H₆₄O₄

1 reference

Fulvestrant Impurity D (English)

13 October 2016

canonical SMILES

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCC5CC6=C(C=CC(=C6)O)C7C5C8CCC(C8(CC7)C)O

1 reference

Fulvestrant Impurity D (English)

13 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCC5CC6=C(C=CC(=C6)O)[C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O

1 reference

Fulvestrant Impurity D (English)

InChI=1S/C45H64O4/c1-44-22-20-36-34-14-12-32(46)26-30(34)24-28(42(36)38(44)16-18-40(44)48)10-8-6-4-3-5-7-9-11-29-25-31-27-33(47)13-15-35(31)37-21-23-45(2)39(43(29)37)17-19-41(45)49/h12-15,26-29,36-43,46-49H,3-11,16-25H2,1-2H3/t28?,29?,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+/m1/s1

13 October 2016

Identifiers

InChI

1 reference

Fulvestrant Impurity D (English)

ANOZSHMJXXOZIR-REDLLZNISA-N

13 October 2016

InChIKey

1 reference

Fulvestrant Impurity D (English)

13 October 2016

1 reference

(17beta,17'beta)-7,7'-(1,9-Nonanediyl)bisestra-1,3,5(10)-triene-3,17-diol (English)

13 October 2016

2 references

Fulvestrant Impurity D (English)

matched by identifier from

13 October 2016

InChIKey

ANOZSHMJXXOZIR-REDLLZNISA-N

1 reference

2 references

Global Substance Registration System

UNII

6392824468

7,7'-nonane-1,9-diylbis(estra-1,3,5(10)-triene-3,17β-diol) (English)