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2H-Quinolizin-4-ol, 3-[(4-chlorophenyl)thio]-6-(3-furanyl)octahydro-3,9-dimethyl-, [3R-(3.alpha.,4.beta.,6.beta.,9.alpha.,9a.alpha.)]-
SpectraBase Compound ID 4dd8QdVvBca
InChI InChI=1S/C21H26ClNO2S/c1-14-3-8-19(15-10-12-25-13-15)23-18(14)9-11-21(2,20(23)24)26-17-6-4-16(22)5-7-17/h4-7,10,12-14,18-20,24H,3,8-9,11H2,1-2H3/t14-,18+,19+,20+,21+/m0/s1
InChIKey VTNBBBUHWFBBKG-DWEVHWGBSA-N
Mol Weight 391.96 g/mol
Molecular Formula C21H26ClNO2S
Exact Mass 391.137278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DGdtnswI1s
Name 2H-Quinolizin-4-ol, 3-[(4-chlorophenyl)thio]-6-(3-furanyl)octahydro-3,9-dimethyl-, [3R-(3.alpha.,4.beta.,6.beta.,9.alpha.,9a.alpha.)]-
CAS Registry Number 80172-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26ClNO2S
InChI InChI=1S/C21H26ClNO2S/c1-14-3-8-19(15-10-12-25-13-15)23-18(14)9-11-21(2,20(23)24)26-17-6-4-16(22)5-7-17/h4-7,10,12-14,18-20,24H,3,8-9,11H2,1-2H3/t14-,18+,19+,20+,21+/m0/s1
InChIKey VTNBBBUHWFBBKG-DWEVHWGBSA-N
Molecular Weight 391.957 g/mol
SMILES O[C@]1(N2[C@@](c3cocc3)(CC[C@@]([C@]2(CC[C@]1(Sc1ccc(cc1)Cl)C)[H])(C)[H])[H])[H]
SPLASH splash10-0007-2793000000-6212c203c009eb458aed
Source of Spectrum I-59-2301-0
Synonyms (3R,4R,6R,9S,9aR)-3-[(4-chlorophenyl)sulfanyl]-6-(3-furyl)-3,9-dimethyloctahydro-2H-quinolizin-4-ol 7.beta.-(4-chlorophenylthio)-deoxynupharidin-6-ol
Wiley ID 1365341