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Cinchonan, pentanedioic acid deriv.
SpectraBase Compound ID 2ukpmKhWlq4
InChI InChI=1S/C27H34N2O6/c1-5-17-16-29-9-7-18(17)10-20(29)11-19-6-8-28-23-13-22(24(33-2)12-21(19)23)27(32,14-25(30)34-3)15-26(31)35-4/h5-6,8,12-13,17-18,20,32H,1,7,9-11,14-16H2,2-4H3/t17?,18-,20+/m0/s1
InChIKey KVBXEVAWCCZXJG-AQCCAAQSSA-N
Mol Weight 482.6 g/mol
Molecular Formula C27H34N2O6
Exact Mass 482.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQuFYQzayvr
Name Cinchonan, pentanedioic acid deriv.
CAS Registry Number 121667-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N2O6
InChI InChI=1S/C27H34N2O6/c1-5-17-16-29-9-7-18(17)10-20(29)11-19-6-8-28-23-13-22(24(33-2)12-21(19)23)27(32,14-25(30)34-3)15-26(31)35-4/h5-6,8,12-13,17-18,20,32H,1,7,9-11,14-16H2,2-4H3/t17?,18-,20+/m0/s1
InChIKey KVBXEVAWCCZXJG-AQCCAAQSSA-N
Molecular Weight 482.577 g/mol
SMILES OC(c1cc2nccc(c2cc1OC)C[C@@]1(N2CC([C@](C1)(CC2)[H])C=C)[H])(CC(=O)OC)CC(=O)OC
SPLASH splash10-000i-4900000000-c8107bcc77abc3c603db
Source of Spectrum F-44-5910-9
Synonyms Pentanedioic acid, 3-hydroxy-3-[(8.alpha.)-6'-methoxycinchonan-7'-yl]-, dimethyl ester Bis(methyl) 3-hydroxy-3-[4-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)methyl-6-methoxyquinolin-7-yl]pentan-1,3-dioate Dimethyl 3-hydroxy-3-[(8alpha)-6'-methoxycinchonan-7'-yl]pentanedioate
Wiley ID 1395643