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3-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

3-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID 5cGQdBVyYmB
InChI InChI=1S/C25H35NO3/c1-16-9-8-12-25(3)14-22-19(13-21(16)25)20(24(28)29-22)15-26(4)17(2)23(27)18-10-6-5-7-11-18/h5-7,10-11,17,19-23,27H,1,8-9,12-15H2,2-4H3
InChIKey RNTVEMBMXUXGLJ-UHFFFAOYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C25H35NO3
Exact Mass 397.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LxMwypHxSd
Name 3-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO3
InChI InChI=1S/C25H35NO3/c1-16-9-8-12-25(3)14-22-19(13-21(16)25)20(24(28)29-22)15-26(4)17(2)23(27)18-10-6-5-7-11-18/h5-7,10-11,17,19-23,27H,1,8-9,12-15H2,2-4H3
InChIKey RNTVEMBMXUXGLJ-UHFFFAOYSA-N
Molecular Weight 397.559 g/mol
SMILES OC(C(N(CC1C(OC2C1CC1C(CCCC1=C)(C)C2)=O)C)C)c1ccccc1
SPLASH splash10-0006-9130000000-97e970a3b762c9fd6c86
Synonyms 3-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one 3-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one 8a-methyl-5-methylidene-3-[[methyl-(1-oxidanyl-1-phenyl-propan-2-yl)amino]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Wiley ID 1436371