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(2R*,5R*)-2-[3-(4-methoxyphenyl)-5-morpholino-4-isoxazolylmethyl]-2,5-dimethyl-3,4-diphenyl-3-cyclopentene-1-one
SpectraBase Compound ID CZkLxkezz4q
InChI InChI=1S/C34H34N2O4/c1-23-29(24-10-6-4-7-11-24)30(25-12-8-5-9-13-25)34(2,32(23)37)22-28-31(26-14-16-27(38-3)17-15-26)35-40-33(28)36-18-20-39-21-19-36/h4-17,23H,18-22H2,1-3H3/t23-,34-/m1/s1
InChIKey SPHUIAQPKYLWIR-GRMGDBHTSA-N
Mol Weight 534.7 g/mol
Molecular Formula C34H34N2O4
Exact Mass 534.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InIy3RiK44w
Name (2R*,5R*)-2-[3-(4-methoxyphenyl)-5-morpholino-4-isoxazolylmethyl]-2,5-dimethyl-3,4-diphenyl-3-cyclopentene-1-one
CAS Registry Number 110045-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34N2O4
InChI InChI=1S/C34H34N2O4/c1-23-29(24-10-6-4-7-11-24)30(25-12-8-5-9-13-25)34(2,32(23)37)22-28-31(26-14-16-27(38-3)17-15-26)35-40-33(28)36-18-20-39-21-19-36/h4-17,23H,18-22H2,1-3H3/t23-,34-/m1/s1
InChIKey SPHUIAQPKYLWIR-GRMGDBHTSA-N
Molecular Weight 534.656 g/mol
SMILES c1(c(onc1-c1ccc(cc1)OC)N1CCOCC1)C[C@@]1(C(=C(c2ccccc2)[C@](C1=O)(C)[H])c1ccccc1)C
SPLASH splash10-00di-0790000000-fc7413778cc6dcdd7ded
Source of Spectrum K-120-1800-6
Synonyms (2R,5R)-2-{[3-(4-methoxyphenyl)-5-(4-morpholinyl)-4-isoxazolyl]methyl}-2,5-dimethyl-3,4-diphenyl-3-cyclopenten-1-one
Wiley ID 1403878