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(5S,5aR,8aR,9R)-5-(4-fluoroanilino)oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

View entire compound with spectra: 1 MS (GC)

(5S,5aR,8aR,9R)-5-(4-fluoroanilino)oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
SpectraBase Compound ID 2NhoNmrJr6A
InChI InChI=1S/C28H26FNO8/c1-32-22-8-14(9-23(33-2)27(22)34-3)24-17-10-20-21(37-13-36-20)11-18(17)26(19-12-35-28(31)25(19)24)38-30-16-6-4-15(29)5-7-16/h4-11,19,24-26,30H,12-13H2,1-3H3/t19-,24+,25-,26+/m0/s1
InChIKey CLJXUBUNKORJJX-QNMIOERPSA-N
Mol Weight 523.51 g/mol
Molecular Formula C28H26FNO8
Exact Mass 523.164245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqB4z9CmwQc
Name (5S,5aR,8aR,9R)-5-(4-fluoroanilino)oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26FNO8
InChI InChI=1S/C28H26FNO8/c1-32-22-8-14(9-23(33-2)27(22)34-3)24-17-10-20-21(37-13-36-20)11-18(17)26(19-12-35-28(31)25(19)24)38-30-16-6-4-15(29)5-7-16/h4-11,19,24-26,30H,12-13H2,1-3H3/t19-,24+,25-,26+/m0/s1
InChIKey CLJXUBUNKORJJX-QNMIOERPSA-N
Instrument Name Fisons VG Autospec-M
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(199605)10_7_817
Molecular Weight 523.513 g/mol
SMILES N(O[C@]1([C@]2(COC([C@@]2([C@@](c2cc3OCOc3cc12)(c1cc(OC)c(c(c1)OC)OC)[H])[H])=O)[H])[H])c1ccc(cc1)F
SPLASH splash10-0002-0029020000-ef9bfc6319510e9b8a1b
Source of Spectrum RCM-10-819-5
Wiley ID 1836054