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(8R,9S,13S,14S,16R,17R)-4-fluoranyl-16-iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(8R,9S,13S,14S,16R,17R)-4-fluoranyl-16-iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID BPlvyXCNi6Q
InChI InChI=1S/C18H22FIO2/c1-18-7-6-10-9-4-5-15(21)16(19)12(9)3-2-11(10)13(18)8-14(20)17(18)22/h4-5,10-11,13-14,17,21-22H,2-3,6-8H2,1H3/t10-,11-,13+,14-,17+,18+/m1/s1
InChIKey DDDIFEHJHCOQHP-DCPVDCFMSA-N
Mol Weight 416.27 g/mol
Molecular Formula C18H22FIO2
Exact Mass 416.064853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fkded7GvDv8
Name (8R,9S,13S,14S,16R,17R)-4-fluoranyl-16-iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22FIO2
InChI InChI=1S/C18H22FIO2/c1-18-7-6-10-9-4-5-15(21)16(19)12(9)3-2-11(10)13(18)8-14(20)17(18)22/h4-5,10-11,13-14,17,21-22H,2-3,6-8H2,1H3/t10-,11-,13+,14-,17+,18+/m1/s1
InChIKey DDDIFEHJHCOQHP-DCPVDCFMSA-N
Molecular Weight 416.275 g/mol
SMILES O[C@]1([C@@](C[C@]2([C@@]3(CCc4c(ccc(c4F)O)[C@]3(CC[C@]12C)[H])[H])[H])(I)[H])[H]
SPLASH splash10-001i-0090300000-e1b2419a44c86399f46f
Source of Spectrum E1-36-4261-10
Synonyms (8R,9S,13S,14S,16R,17R)-4-fluoro-16-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574869