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2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-, dimethyl ester, cis-(.+-.)-

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2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-, dimethyl ester, cis-(.+-.)-
SpectraBase Compound ID A3qsqXCSf6G
InChI InChI=1S/C22H25NO8/c1-28-19-6-5-12(8-17(19)24)7-15-14-11-18(25)20(29-2)10-13(14)9-16(21(26)30-3)23(15)22(27)31-4/h5-6,8,10-11,15-16,24-25H,7,9H2,1-4H3/t15-,16-/m1/s1
InChIKey XJVGJTISSZXXEA-HZPDHXFCSA-N
Mol Weight 431.44 g/mol
Molecular Formula C22H25NO8
Exact Mass 431.158017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID He6O88DfRcu
Name 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-, dimethyl ester, cis-(.+-.)-
CAS Registry Number 113948-25-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO8
InChI InChI=1S/C22H25NO8/c1-28-19-6-5-12(8-17(19)24)7-15-14-11-18(25)20(29-2)10-13(14)9-16(21(26)30-3)23(15)22(27)31-4/h5-6,8,10-11,15-16,24-25H,7,9H2,1-4H3/t15-,16-/m1/s1
InChIKey XJVGJTISSZXXEA-HZPDHXFCSA-N
Molecular Weight 431.441 g/mol
SMILES Oc1cc(C[C@@]2(c3cc(c(cc3C[C@@](N2C(=O)OC)(C(=O)OC)[H])OC)O)[H])ccc1OC
SPLASH splash10-0006-0190000000-372e56fdd1d1e472e74b
Source of Spectrum J-53-2320-0
Synonyms (+,-)-cis-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3,4-dihydro-7-hydroxy-6-methoxy-2,3(1H)-isoquinolinedicarboxylic acid dimethyl ester Dimethyl (1R,3R)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate
Wiley ID 1381950