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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)-, (2.alpha.,3.beta.,4.beta.)-
SpectraBase Compound ID NwotmW6FID
InChI InChI=1S/C17H25NO3S/c1-9(19)17-7-10-4-11(8-17)6-12(5-10)15(17)22-13-2-3-18-16(21)14(13)20/h2-3,10-16,18,20-21H,4-8H2,1H3/t10-,11+,12-,13-,14-,15+,16?,17+/m1/s1
InChIKey QDIXZWKRVPGUGH-MGEYLJSMSA-N
Mol Weight 323.45 g/mol
Molecular Formula C17H25NO3S
Exact Mass 323.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dxm9kmwZxJX
Name 3,4-Pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.beta.)-
CAS Registry Number 59720-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO3S
InChI InChI=1S/C17H25NO3S/c1-9(19)17-7-10-4-11(8-17)6-12(5-10)15(17)22-13-2-3-18-16(21)14(13)20/h2-3,10-16,18,20-21H,4-8H2,1H3/t10-,11+,12-,13-,14-,15+,16?,17+/m1/s1
InChIKey QDIXZWKRVPGUGH-MGEYLJSMSA-N
Molecular Weight 323.451 g/mol
SMILES OC1[C@@]([C@](S[C@@]2([C@]3(C(=O)C)C[C@]4(C[C@]2(C[C@@](C3)(C4)[H])[H])[H])[H])(C=CN1)[H])(O)[H]
SPLASH splash10-000g-9200000000-c91ea3b5dc667f749e14
Source of Spectrum Y-13-327-0
Synonyms 1-((2R)-2-{[(3S,4R)-2,3-dihydroxy-1,2,3,4-tetrahydro-4-pyridinyl]sulfanyl}tricyclo[3.3.1.1(3,7)]dec-1-yl)ethanone 1-Acetyl-2.alpha.-adamantylthio-3.beta.,4.beta.-dihydroxy-1,2,3,4-tetrahydropyridine
Wiley ID 1322403