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3,4-Pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, diacetate (ester), (2.alpha.,3.beta.,4.alpha.)-
SpectraBase Compound ID 5psGLhSB4JC
InChI InChI=1S/C21H29NO5S/c1-12(23)22-5-4-18(26-13(2)24)19(27-14(3)25)20(22)28-21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,15-20H,6-11H2,1-3H3
InChIKey MZDOYBWWMCBVDG-UHFFFAOYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C21H29NO5S
Exact Mass 407.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9p8uqOYnqn9
Name 3,4-Pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, diacetate (ester), (2.alpha.,3.beta.,4.alpha.)-
CAS Registry Number 54476-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO5S
InChI InChI=1S/C21H29NO5S/c1-12(23)22-5-4-18(26-13(2)24)19(27-14(3)25)20(22)28-21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,15-20H,6-11H2,1-3H3
InChIKey MZDOYBWWMCBVDG-UHFFFAOYSA-N
Molecular Weight 407.525 g/mol
SMILES C1(N(C=CC(C1OC(=O)C)OC(=O)C)C(=O)C)SC12CC3CC(C2)CC(C1)C3
SPLASH splash10-000g-9200000000-4a97c748eaa7d279a0ee
Source of Spectrum Y-11-716-51
Synonyms 1-Acetyl-2-(1-adamantanethio)-3,4-diacetoxy-1,2,3,4-tetrahydropyridine 1-Acetyl-3-(acetyloxy)-2-(1-adamantylsulfanyl)-1,2,3,4-tetrahydro-4-pyridinyl acetate Acetic acid[1-acetyl-3-acetyloxy-2-(1-adamantylthio)-3,4-dihydro-2H-pyridin-4-yl]ester Acetic acid[3-acetoxy-1-acetyl-2-(1-adamantylthio)-3,4-dihydro-2H-pyridin-4-yl]ester [1-acetyl-3-acetyloxy-2-(1-adamantylsulfanyl)-3,4-dihydro-2H-pyridin-4-yl]acetate [3-acetoxy-1-acetyl-2-(1-adamantylsulfanyl)-3,4-dihydro-2H-pyridin-4-yl]acetate [3-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-3,4-dihydro-2H-pyridin-4-yl]ethanoate Acetic acid [1-acetyl-3-acetyloxy-2-(1-adamantylthio)-3,4-dihydro-2H-pyridin-4-yl] ester [1-acetyl-3-acetyloxy-2-(1-adamantylsulfanyl)-3,4-dihydro-2H-pyridin-4-yl] acetate [3-acetoxy-1-acetyl-2-(1-adamantylsulfanyl)-3,4-dihydro-2H-pyridin-4-yl] acetate [3-acetyloxy-2-(1-adamantylsulfanyl)-1-ethanoyl-3,4-dihydro-2H-pyridin-4-yl] ethanoate
Wiley ID 1372559