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(5S,5aR,8aR,9R)-5-(4-fluoroanilino)oxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-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-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
SpectraBase Compound ID ALSmBlUSlvc
InChI InChI=1S/C27H24FNO8/c1-32-21-7-13(8-22(33-2)25(21)30)23-16-9-19-20(36-12-35-19)10-17(16)26(18-11-34-27(31)24(18)23)37-29-15-5-3-14(28)4-6-15/h3-10,18,23-24,26,29-30H,11-12H2,1-2H3/t18-,23+,24-,26+/m0/s1
InChIKey JWBWUJKLJGXJSN-DLTDCEFJSA-N
Mol Weight 509.49 g/mol
Molecular Formula C27H24FNO8
Exact Mass 509.148595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjzDzK4IRG0
Name (5S,5aR,8aR,9R)-5-(4-fluoroanilino)oxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-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 C27H24FNO8
InChI InChI=1S/C27H24FNO8/c1-32-21-7-13(8-22(33-2)25(21)30)23-16-9-19-20(36-12-35-19)10-17(16)26(18-11-34-27(31)24(18)23)37-29-15-5-3-14(28)4-6-15/h3-10,18,23-24,26,29-30H,11-12H2,1-2H3/t18-,23+,24-,26+/m0/s1
InChIKey JWBWUJKLJGXJSN-DLTDCEFJSA-N
Instrument Name Fisons VG Autospec-M
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(199605)10_7_817
Molecular Weight 509.486 g/mol
SMILES Oc1c(cc([C@]2([C@]3(C(OC[C@@]3([C@](ONc3ccc(cc3)F)(c3cc4OCOc4cc23)[H])[H])=O)[H])[H])cc1OC)OC
SPLASH splash10-03ea-0944200000-70fac7bd3d9cf2d5d722
Source of Spectrum RCM-10-819-4
Wiley ID 1836053