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1-N-((5R)-10,10-dimethyl-3,3-dioxo-3.lamda.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-2-[(1S,2R)-(2-hydroxy-1-methyl-2-(methoxyphenyl)ethyl)]prop-2-en-1-one

View entire compound with spectra: 1 MS (GC)

1-N-((5R)-10,10-dimethyl-3,3-dioxo-3.lamda.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-2-[(1S,2R)-(2-hydroxy-1-methyl-2-(methoxyphenyl)ethyl)]prop-2-en-1-one
SpectraBase Compound ID 4tt8cwcbhwz
InChI InChI=1S/C23H31NO5S/c1-14(20(25)16-6-8-18(29-5)9-7-16)15(2)21(26)24-19-12-17-10-11-23(19,22(17,3)4)13-30(24,27)28/h6-9,14,17,19-20,25H,2,10-13H2,1,3-5H3/t14-,17-,19+,20+,23-/m0/s1
InChIKey DTVAJMBVQVOUMK-QXKHQJIESA-N
Mol Weight 433.56 g/mol
Molecular Formula C23H31NO5S
Exact Mass 433.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X98G9rOVdT
Name 1-N-((5R)-10,10-dimethyl-3,3-dioxo-3.lamda.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-2-[(1S,2R)-(2-hydroxy-1-methyl-2-(methoxyphenyl)ethyl)]prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO5S
InChI InChI=1S/C23H31NO5S/c1-14(20(25)16-6-8-18(29-5)9-7-16)15(2)21(26)24-19-12-17-10-11-23(19,22(17,3)4)13-30(24,27)28/h6-9,14,17,19-20,25H,2,10-13H2,1,3-5H3/t14-,17-,19+,20+,23-/m0/s1
InChIKey DTVAJMBVQVOUMK-QXKHQJIESA-N
Molecular Weight 433.563 g/mol
SMILES O[C@]([C@](C(C(N1S(C[C@]23C([C@@](CC3)(C[C@@]12[H])[H])(C)C)(=O)=O)=O)=C)(C)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-001u-9310000000-a535c4597e7b7472124c
Source of Spectrum QC-8-1422-33
Synonyms 1-N-((5R)-10,10-dimethyl-3,3-dioxo-3.lambda.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-2-[(1S,2R)-(2-hydroxy-1-methyl-2-(methoxyphenyl)ethyl)]prop-2-en-1-one
Wiley ID 870004