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3-Pyridinemethanol, 1,2,3,6-tetrahydro-2,5-dimethyl-.alpha.-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methyl]-6-phenyl-, acetate (ester), [2.alpha.,3.beta.(S*),6.alpha.]-
SpectraBase Compound ID DGERs81ppGA
InChI InChI=1S/C27H36N2O2/c1-18(2)14-25(31-21(5)30)24-15-20(4)26(22-10-8-7-9-11-22)29-27(24,6)16-23-13-12-19(3)17-28-23/h7-13,15,17-18,24-26,29H,14,16H2,1-6H3/t24-,25-,26+,27+/m0/s1
InChIKey MVRLHLYXHSNIRW-GWMMUDDPSA-N
Mol Weight 420.6 g/mol
Molecular Formula C27H36N2O2
Exact Mass 420.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AP0CQ8m8fyc
Name 3-Pyridinemethanol, 1,2,3,6-tetrahydro-2,5-dimethyl-.alpha.-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methyl]-6-phenyl-, acetate (ester), [2.alpha.,3.beta.(S*),6.alpha.]-
CAS Registry Number 64880-63-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O2
InChI InChI=1S/C27H36N2O2/c1-18(2)14-25(31-21(5)30)24-15-20(4)26(22-10-8-7-9-11-22)29-27(24,6)16-23-13-12-19(3)17-28-23/h7-13,15,17-18,24-26,29H,14,16H2,1-6H3/t24-,25-,26+,27+/m0/s1
InChIKey MVRLHLYXHSNIRW-GWMMUDDPSA-N
Molecular Weight 420.597 g/mol
SMILES N1[C@](C(=C[C@]([C@]1(Cc1ncc(cc1)C)C)([C@@](OC(=O)C)(CC(C)C)[H])[H])C)(c1ccccc1)[H]
SPLASH splash10-0a4i-1971000000-d46237146ebb3291742f
Source of Spectrum I-55-2675-0
Synonyms (1S)-1-{(2R,3R,6R)-2,5-dimethyl-2-[(5-methyl-2-pyridinyl)methyl]-6-phenyl-1,2,3,6-tetrahydro-3-pyridinyl}-3-methylbutyl acetate 2,5-Dimethyl-2-(5'-methyl-2'-picolyl)-3-(1''-acetoxy-3''-methylbutyl)-6-phenyl-4,5-didehydropiperidine 2,5-Dimethyl-2-(5'-methyl-2'-picolyl)-3-(1''-acetoxy-3''-methylbutyl)-6-phenyl-4,5-didehydropiperidine
Wiley ID 1378129