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17a-hydroxyprogesterone, HFB derivative
SpectraBase Compound ID JxhwE0plH4W
InChI InChI=1S/C25H27F7O3/c1-13(33)21(2)11-9-17-16-5-4-14-12-15(8-10-22(14,3)19(16)7-6-18(17)21)35-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16,19H,5-11H2,1-3H3/t16?,19?,21-,22-/m0/s1
InChIKey LWTYGDBJTOKPHK-ZNJKDYDLSA-N
Mol Weight 508.48 g/mol
Molecular Formula C25H27F7O3
Exact Mass 508.184842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31eeBNCHXE
Name 17a-hydroxyprogesterone, HFB derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27F7O3
InChI InChI=1S/C25H27F7O3/c1-13(33)21(2)11-9-17-16-5-4-14-12-15(8-10-22(14,3)19(16)7-6-18(17)21)35-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16,19H,5-11H2,1-3H3/t16?,19?,21-,22-/m0/s1
InChIKey LWTYGDBJTOKPHK-ZNJKDYDLSA-N
Molecular Weight 508.477 g/mol
SMILES C(C(C(OC1=CC2=CCC3C=4CC[C@](C4CCC3[C@]2(CC1)C)(C(=O)C)C)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-067j-6902100000-5cd8efa03e3f85e8b05e
Source of Spectrum JA-6-264-0
Synonyms (17alpha)-17-acetyl-10,17-dimethylgona-3,5,13-trien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Wiley ID 1400130