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Details

Stereochemistry EPIMERIC
Molecular Formula C32H45F5O4S
Molecular Weight 620.754
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-KETO-FULVESTRANT

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(C=C(O)C=C4)C(=O)[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]23[H]

InChI

InChIKey=LJHWVATXTHUFLV-BAEQBUEPSA-N
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

HIDE SMILES / InChI

Molecular Formula C32H45F5O4S
Molecular Weight 620.754
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M1IH3Z2RR8
Record Status Validated (UNII)
Record Version