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3-Hydroxy-16,17-(PFP)2 of E-3,16.alpha.,17.beta.-triol
SpectraBase Compound ID EwpE0RooKKJ
InChI InChI=1S/C24H22F10O5/c1-20-7-6-13-12-5-3-11(35)8-10(12)2-4-14(13)15(20)9-16(38-18(36)21(25,26)23(29,30)31)17(20)39-19(37)22(27,28)24(32,33)34/h3,5,8,13-17,35H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,20+/m1/s1
InChIKey BYFWOLNSKSXLCK-UWGWQUPMSA-N
Mol Weight 580.42 g/mol
Molecular Formula C24H22F10O5
Exact Mass 580.130755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0QlVsr2R4P
Name 3-Hydroxy-16,17-(PFP)2 of E-3,16.alpha.,17.beta.-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F10O5
InChI InChI=1S/C24H22F10O5/c1-20-7-6-13-12-5-3-11(35)8-10(12)2-4-14(13)15(20)9-16(38-18(36)21(25,26)23(29,30)31)17(20)39-19(37)22(27,28)24(32,33)34/h3,5,8,13-17,35H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,20+/m1/s1
InChIKey BYFWOLNSKSXLCK-UWGWQUPMSA-N
Molecular Weight 580.419 g/mol
SMILES Oc1ccc2[C@]3(CC[C@@]4([C@@](OC(C(C(F)(F)F)(F)F)=O)([C@@](C[C@]4([C@@]3(CCc2c1)[H])[H])(OC(C(C(F)(F)F)(F)F)=O)[H])[H])C)[H]
SPLASH splash10-001i-0002090000-4e79756438218ecba20d
Source of Spectrum KO-18-315-0
Synonyms (16alpha,17beta)-3-hydroxy-16-[(2,2,3,3,3-pentafluoropropanoyl)oxy]estra-1,3,5(10)-trien-17-yl 2,2,3,3,3-pentafluoropropanoate 3-Hydroxy-16.alpha.,17.beta.-bis(pentafluoropropionyl)-1,3,5(10)-estratriene
Wiley ID 1408461