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(3aS,6S)-3-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-3a-methyl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazol-4-one
SpectraBase Compound ID Js9ZOK3MnlC
InChI InChI=1S/C26H28N2O5/c1-25(15-21(27-33-25)16-5-9-19(30-3)10-6-16)18-13-22(29)26(2)23(14-18)32-28-24(26)17-7-11-20(31-4)12-8-17/h5-12,18,23H,13-15H2,1-4H3/t18-,23?,25?,26-/m1/s1
InChIKey LIADFWPROBIAMI-NDKLRWHISA-N
Mol Weight 448.52 g/mol
Molecular Formula C26H28N2O5
Exact Mass 448.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdTJ7dcpjtB
Name (3aS,6S)-3-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-3a-methyl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazol-4-one
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Formula C26H28N2O5
InChI InChI=1S/C26H28N2O5/c1-25(15-21(27-33-25)16-5-9-19(30-3)10-6-16)18-13-22(29)26(2)23(14-18)32-28-24(26)17-7-11-20(31-4)12-8-17/h5-12,18,23H,13-15H2,1-4H3/t18-,23?,25?,26-/m1/s1
InChIKey LIADFWPROBIAMI-NDKLRWHISA-N
Molecular Weight 448.519 g/mol
SMILES [C@]12(C(=NOC2C[C@](C2(ON=C(C2)c2ccc(cc2)OC)C)(CC1=O)[H])c1ccc(OC)cc1)C
SPLASH splash10-0007-4920100000-cf5d176d305ce03eca30
Source of Spectrum IY-2-5038-4
Synonyms 1,2-Benzisoxazol-4(3aH)-one, 6-[4,5-dihydro-3-(4-methoxyphenyl)-5-methyl-5-isoxazolyl]-5,6,7,7a-tetrahydro-3-(4-methoxyphenyl)-3a-methyl- (3aS,6S)-3-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)-5-methyl-4H-isoxazol-5-yl]-3a-methyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one (3aS,6S)-3-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-3a-methyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one
Wiley ID 1658367