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(3aR,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID DBvWQVHvUpl
InChI InChI=1S/C27H35NO4/c1-17-9-8-12-27(4)14-23-19(13-21(17)27)20(25(29)31-23)15-28-22-16-30-26(2,3)32-24(22)18-10-6-5-7-11-18/h5-7,9-11,13,19-20,22-24,28H,8,12,14-16H2,1-4H3/t19-,20?,22+,23-,24+,27-/m1/s1
InChIKey GUHALLWLYNNCQT-ZUGONVEYSA-N
Mol Weight 437.6 g/mol
Molecular Formula C27H35NO4
Exact Mass 437.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89UCK51veri
Name (3aR,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO4
InChI InChI=1S/C27H35NO4/c1-17-9-8-12-27(4)14-23-19(13-21(17)27)20(25(29)31-23)15-28-22-16-30-26(2,3)32-24(22)18-10-6-5-7-11-18/h5-7,9-11,13,19-20,22-24,28H,8,12,14-16H2,1-4H3/t19-,20?,22+,23-,24+,27-/m1/s1
InChIKey GUHALLWLYNNCQT-ZUGONVEYSA-N
Molecular Weight 437.580 g/mol
SMILES N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])CC1[C@]2(C=C3[C@@](C[C@]2(OC1=O)[H])(CCC=C3C)C)[H]
SPLASH splash10-0a4l-9530000000-d687d1aef7cefba74df0
Synonyms (3aR,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1445094