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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37FO6
Molecular Weight 476.5775
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARAMETHASONE-17,21-ORTHOVALERATE

SMILES

CCCCC1(O)OCC(=O)[C@@]2(O1)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C

InChI

InChIKey=XGHSVAAILZTBNH-ZXOAWTLQSA-N
InChI=1S/C27H37FO6/c1-5-6-8-26(32)33-14-22(31)27(34-26)15(2)10-18-17-12-20(28)19-11-16(29)7-9-24(19,3)23(17)21(30)13-25(18,27)4/h7,9,11,15,17-18,20-21,23,30,32H,5-6,8,10,12-14H2,1-4H3/t15-,17+,18+,20+,21+,23-,24+,25+,26?,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H37FO6
Molecular Weight 476.5775
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
E39Q70LW8C
Record Status Validated (UNII)
Record Version