6-keto-fulvestrant (Q27283344)

6-Keto Fulvestrant (English)

14 October 2016

chemical formula

C₃₂H₄₅F₅O₄S

1 reference

6-Keto Fulvestrant (English)

14 October 2016

canonical SMILES

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

1 reference

6-Keto Fulvestrant (English)

14 October 2016

isomeric SMILES

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

1 reference

6-Keto Fulvestrant (English)

InChI=1S/C32H45F5O4S/c1-30-17-15-23-22-12-11-21(38)20-25(22)29(40)24(28(23)26(30)13-14-27(30)39)10-7-5-3-2-4-6-8-18-42(41)19-9-16-31(33,34)32(35,36)37/h11-12,20,23-24,26-28,38-39H,2-10,13-19H2,1H3/t23-,24+,26+,27+,28+,30+,42?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

6-Keto Fulvestrant (English)

LJHWVATXTHUFLV-BAEQBUEPSA-N

14 October 2016

InChIKey

1 reference

6-Keto Fulvestrant (English)

14 October 2016

1 reference

{9-[(7alpha,17beta)-3,17-Dihydroxy-6-oxoestra-1,3,5(10)-trien-7-yl]nonyl}(4,4,5,5,5-pentafluoropentyl)sulfoniumolate (English)

14 October 2016

2 references

6-Keto Fulvestrant (English)

matched by identifier from

14 October 2016

InChIKey

LJHWVATXTHUFLV-BAEQBUEPSA-N

1 reference

2 references

Global Substance Registration System

UNII

M1IH3Z2RR8

6-keto-fulvestrant (English)