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7.beta.-(p-Toluenesulfonyl)deoxynupharidine
SpectraBase Compound ID rY9kZRyljT
InChI InChI=1S/C22H29NO3S/c1-16-4-7-19(8-5-16)27(24,25)22(3)12-10-20-17(2)6-9-21(23(20)15-22)18-11-13-26-14-18/h4-5,7-8,11,13-14,17,20-21H,6,9-10,12,15H2,1-3H3/t17?,20?,21?,22-/m1/s1
InChIKey XONGUEMVRKYYME-ZHOFPQEESA-N
Mol Weight 387.54 g/mol
Molecular Formula C22H29NO3S
Exact Mass 387.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRecCoHf8qp
Name 7.beta.-(p-Toluenesulfonyl)deoxynupharidine
CAS Registry Number 59187-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO3S
InChI InChI=1S/C22H29NO3S/c1-16-4-7-19(8-5-16)27(24,25)22(3)12-10-20-17(2)6-9-21(23(20)15-22)18-11-13-26-14-18/h4-5,7-8,11,13-14,17,20-21H,6,9-10,12,15H2,1-3H3/t17?,20?,21?,22-/m1/s1
InChIKey XONGUEMVRKYYME-ZHOFPQEESA-N
Molecular Weight 387.538 g/mol
SMILES C1N2C(CC[C@]1(S(c1ccc(cc1)C)(=O)=O)C)C(CCC2c1cocc1)C
SPLASH splash10-001i-4190000000-89b6b98e190a2b5e6b20
Source of Spectrum J-41-2519-0
Synonyms (3R)-6-(3-furyl)-3,9-dimethyloctahydro-2H-quinolizin-3-yl 4-methylphenyl sulfone (7R)-4-(3-furyl)-1,7-dimethyl-7-[(4-methylphenyl)sulfonyl]octahydro-2H-quinolizine 7.beta.-(p-toluenesulfonyl)deoxypupharidine
Wiley ID 1363416