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2H-Quinolizin-4-ol, 6-(3-furanyl)octahydro-3,9-dimethyl-3-[[4-(trifluoromethyl)phenyl]thi o]-, [3S-(3.alpha.,4.beta.,6.alpha.,9.beta.,9a.beta.)]-
SpectraBase Compound ID CU4PUWQvErl
InChI InChI=1S/C22H26F3NO2S/c1-14-3-8-19(15-10-12-28-13-15)26-18(14)9-11-21(2,20(26)27)29-17-6-4-16(5-7-17)22(23,24)25/h4-7,10,12-14,18-20,27H,3,8-9,11H2,1-2H3/t14-,18+,19+,20-,21+/m1/s1
InChIKey BLFSGHRGWJVNJF-DJSIVUHMSA-N
Mol Weight 425.51 g/mol
Molecular Formula C22H26F3NO2S
Exact Mass 425.163635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r2BqjcyR6Z
Name 2H-Quinolizin-4-ol, 6-(3-furanyl)octahydro-3,9-dimethyl-3-[[4-(trifluoromethyl)phenyl]thi o]-, [3S-(3.alpha.,4.beta.,6.alpha.,9.beta.,9a.beta.)]-
CAS Registry Number 80172-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26F3NO2S
InChI InChI=1S/C22H26F3NO2S/c1-14-3-8-19(15-10-12-28-13-15)26-18(14)9-11-21(2,20(26)27)29-17-6-4-16(5-7-17)22(23,24)25/h4-7,10,12-14,18-20,27H,3,8-9,11H2,1-2H3/t14-,18+,19+,20-,21+/m1/s1
InChIKey BLFSGHRGWJVNJF-DJSIVUHMSA-N
Molecular Weight 425.510 g/mol
SMILES O[C@]1(N2[C@](c3cocc3)(CC[C@]([C@@]2(CC[C@@]1(Sc1ccc(C(F)(F)F)cc1)C)[H])(C)[H])[H])[H]
SPLASH splash10-0694-2590100000-13f80143536da8608387
Source of Spectrum I-59-2302-0
Synonyms (3S,4R,6S,9R,9aS)-6-(3-furyl)-3,9-dimethyl-3-{[4-(trifluoromethyl)phenyl]sulfanyl}octahydro-2H-quinolizin-4-ol 7.beta.-(4-trifluoromethylphenylthio)-deoxynupharidin
Wiley ID 1379627