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rac-6,6',7,7'-Tetrahydroxy-1,1',2,2',3,3',4,4'-octahydro-[1,1'-biisoquinoline]-2,2'-dicarboxylic acid diethyl ester
SpectraBase Compound ID E9j7NGaTtaS
InChI InChI=1S/C24H28N2O8/c1-3-33-23(31)25-7-5-13-9-17(27)19(29)11-15(13)21(25)22-16-12-20(30)18(28)10-14(16)6-8-26(22)24(32)34-4-2/h9-12,21-22,27-30H,3-8H2,1-2H3/t21-,22-/m0/s1
InChIKey JDHXWWBNWREDPP-VXKWHMMOSA-N
Mol Weight 472.49 g/mol
Molecular Formula C24H28N2O8
Exact Mass 472.184566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kE3Sacz07v
Name rac-6,6',7,7'-Tetrahydroxy-1,1',2,2',3,3',4,4'-octahydro-[1,1'-biisoquinoline]-2,2'-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl (1S,1'S)-6,6',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-[1,1'-biisoquinoline]-2,2'(1H,1'H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O8
InChI InChI=1S/C24H28N2O8/c1-3-33-23(31)25-7-5-13-9-17(27)19(29)11-15(13)21(25)22-16-12-20(30)18(28)10-14(16)6-8-26(22)24(32)34-4-2/h9-12,21-22,27-30H,3-8H2,1-2H3/t21-,22-/m0/s1
InChIKey JDHXWWBNWREDPP-VXKWHMMOSA-N
Molecular Weight 472.494 g/mol
SMILES Oc1cc2c(cc1O)CCN([C@@]2([C@@]1(c2cc(c(cc2CCN1C(=O)OCC)O)O)[H])[H])C(=O)OCC
SPLASH splash10-03dr-0790000000-d15088f87b702279a0e6
Source of Spectrum H-63-955-rac_16
Wiley ID 1797470