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2H-Furo[2,3,4-ij]isoquinoline, phenol deriv.
SpectraBase Compound ID GRqc5wNcc69
InChI InChI=1S/C26H27NO4/c1-27-12-11-17-9-10-20(29-2)26-22(17)23(27)25(31-26)19-14-18(24(28)21(15-19)30-3)13-16-7-5-4-6-8-16/h4-10,14-15,23,25,28H,11-13H2,1-3H3/t23-,25+/m0/s1
InChIKey PMJMLGFUOYMXEZ-UKILVPOCSA-N
Mol Weight 417.51 g/mol
Molecular Formula C26H27NO4
Exact Mass 417.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA2SxZvct4u
Name 2H-Furo[2,3,4-ij]isoquinoline, phenol deriv.
CAS Registry Number 113756-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO4
InChI InChI=1S/C26H27NO4/c1-27-12-11-17-9-10-20(29-2)26-22(17)23(27)25(31-26)19-14-18(24(28)21(15-19)30-3)13-16-7-5-4-6-8-16/h4-10,14-15,23,25,28H,11-13H2,1-3H3/t23-,25+/m0/s1
InChIKey PMJMLGFUOYMXEZ-UKILVPOCSA-N
Molecular Weight 417.505 g/mol
SMILES Oc1c(cc([C@@]2([C@@]3(c4c(O2)c(OC)ccc4CCN3C)[H])[H])cc1Cc1ccccc1)OC
SPLASH splash10-00xs-1910300000-eba9cb0ef74b532ca7cb
Source of Spectrum Y-24-619-16
Synonyms Phenol, 2-methoxy-6-(phenylmethyl)-4-(2a,3,4,5-tetrahydro-8-methoxy-3-methyl-2H-furo[2,3,4-ij]isoquinolin-2-yl)-, cis-(.+-.)- .alpha.-(3'-methoxy-4'-hydroxy-5'-benzylphenyl)-(7-methoxy-N-methylisoquinolino)[1,8-b,c]dihydrofurane 4-[(2R,2aS)-8-methoxy-3-methyl-2a,3,4,5-tetrahydro-2H-furo[2,3,4-ij]isoquinolin-2-yl]-2-benzyl-6-methoxyphenol
Wiley ID 1376901