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(3aR,5S,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,5S,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID LFTBYedJF5H
InChI InChI=1S/C27H37NO4/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/h5-7,10-11,13,17,19-20,22-24,28H,8-9,12,14-16H2,1-4H3/t17-,19+,20?,22-,23+,24-,27+/m0/s1
InChIKey OHPNSNVEQOAVGJ-HREKMSGISA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H37NO4
Exact Mass 439.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu2KfA4SSTP
Name (3aR,5S,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO4
InChI InChI=1S/C27H37NO4/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/h5-7,10-11,13,17,19-20,22-24,28H,8-9,12,14-16H2,1-4H3/t17-,19+,20?,22-,23+,24-,27+/m0/s1
InChIKey OHPNSNVEQOAVGJ-HREKMSGISA-N
Molecular Weight 439.596 g/mol
SMILES N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])CC1C(O[C@]2([C@@]1(C=C1[C@](CCC[C@@]1(C2)C)(C)[H])[H])[H])=O
SPLASH splash10-06tf-9840000000-e4f53daa3b60516ad5f0
Synonyms (3aR,5S,8aR,9aR)-3-[[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1442676