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3,4-pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-5-methyl-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.alpha.)-

View entire compound with spectra: 1 MS (GC)

3,4-pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-5-methyl-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.alpha.)-
SpectraBase Compound ID 1nnNrDcKgEF
InChI InChI=1S/C18H27NO3S/c1-10-9-19(11(2)20)17(16(22)15(10)21)23-18-6-12-3-13(7-18)5-14(4-12)8-18/h9,12-17,21-22H,3-8H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-/m1/s1
InChIKey ACLNRHLRMOMSLN-GFNSITTLSA-N
Mol Weight 337.48 g/mol
Molecular Formula C18H27NO3S
Exact Mass 337.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAgylZ1ybXL
Name 3,4-pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-5-methyl-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.alpha.)-
CAS Registry Number 94957-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO3S
InChI InChI=1S/C18H27NO3S/c1-10-9-19(11(2)20)17(16(22)15(10)21)23-18-6-12-3-13(7-18)5-14(4-12)8-18/h9,12-17,21-22H,3-8H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-/m1/s1
InChIKey ACLNRHLRMOMSLN-GFNSITTLSA-N
Molecular Weight 337.478 g/mol
SMILES O[C@@]1([C@](N(C=C([C@]1(O)[H])C)C(=O)C)(SC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])[H])[H]
SPLASH splash10-0il0-3900000000-40cedcb6267428ee6ce5
Source of Spectrum J-50-1001-5
Synonyms (2R,3S,4R)-1-acetyl-2-(1-adamantylsulfanyl)-5-methyl-1,2,3,4-tetrahydro-3,4-pyridinediol
Wiley ID 1333071