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2-Propenoic acid, 2-[[(8.alpha.,9R)-10,11-dihydro-9-hydroxy-6'-methoxycinchonan-11-yl]thio]ethyl ester
SpectraBase Compound ID BDfkKbIX0Hf
InChI InChI=1S/C25H32N2O4S/c1-3-24(28)31-11-13-32-12-8-18-16-27-10-7-17(18)14-23(27)25(29)20-6-9-26-22-5-4-19(30-2)15-21(20)22/h3-6,9,15,17-18,23,25,29H,1,7-8,10-14,16H2,2H3/t17-,18-,23-,25?/m0/s1
InChIKey YZMRBBOUQGZLGC-YZZXZCSNSA-N
Mol Weight 456.6 g/mol
Molecular Formula C25H32N2O4S
Exact Mass 456.208279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0nCBW53kQ4
Name 2-Propenoic acid, 2-[[(8.alpha.,9R)-10,11-dihydro-9-hydroxy-6'-methoxycinchonan-11-yl]thio]ethyl ester
CAS Registry Number 116191-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O4S
InChI InChI=1S/C25H32N2O4S/c1-3-24(28)31-11-13-32-12-8-18-16-27-10-7-17(18)14-23(27)25(29)20-6-9-26-22-5-4-19(30-2)15-21(20)22/h3-6,9,15,17-18,23,25,29H,1,7-8,10-14,16H2,2H3/t17-,18-,23-,25?/m0/s1
InChIKey YZMRBBOUQGZLGC-YZZXZCSNSA-N
Molecular Weight 456.601 g/mol
SMILES OC(c1c2c(ccc(c2)OC)ncc1)[C@]1(N2C[C@](CCSCCOC(C=C)=O)([C@@](CC2)(C1)[H])[H])[H]
SPLASH splash10-0a4i-0077900000-6050e053034b8ba4fd97
Source of Spectrum AJ-60-4126-9
Synonyms Cinchonan, 2-propenoic acid deriv. 11-[2-(acryloyloxy)ethylthio]-10,11-dihydroquinine 2-[(9-hydroxy-6'-methoxy-10,11-dihydrocinchonan-11-yl)sulfanyl]ethyl acrylate 2-Propenoic acid 2-[2-[2-[hydroxy-(6-methoxy-4-quinolinyl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethylthio]ethyl ester 2-[2-[2-[hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethylsulfanyl]ethyl prop-2-enoate 2-[2-[6-[hydroxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-yl]ethylsulfanyl]ethyl prop-2-enoate 2-[2-[2-[(6-methoxyquinolin-4-yl)-oxidanyl-methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethylsulfanyl]ethyl prop-2-enoate
Wiley ID 1389285