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8H-Isoquino[2,1-b][2,7]naphthyridin-8-one, 5,6,13,13a-tetrahydro-13-hydroxy-3-methoxy-2-(phenylmethoxy)-, cis-
SpectraBase Compound ID 9rLDgwq0UFW
InChI InChI=1S/C24H22N2O4/c1-29-20-11-16-8-10-26-22(23(27)17-7-9-25-13-19(17)24(26)28)18(16)12-21(20)30-14-15-5-3-2-4-6-15/h2-7,9,11-13,22-23,27H,8,10,14H2,1H3/t22-,23+/m1/s1
InChIKey GAYXPSDZWZSHPK-PKTZIBPZSA-N
Mol Weight 402.45 g/mol
Molecular Formula C24H22N2O4
Exact Mass 402.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ST0EZ6sCaS
Name 8H-Isoquino[2,1-b][2,7]naphthyridin-8-one, 5,6,13,13a-tetrahydro-13-hydroxy-3-methoxy-2-(phenylmethoxy)-, cis-
Alternate Name(s) (13S,13aR)-2-(benzyloxy)-13-hydroxy-3-methoxy-5,6,13,13a-tetrahydro-8H-isoquino[2,1-b][2,7]naphthyridin-8-one 1,5-Diaza-9-hydroxy-13-benzoxy-14-methoxy-tetracyclo[8.8.0(1,10).0(11,16).0(3,9)]octadecan-3,5,7,11(16),12,14-hexan-2-one
CAS Registry Number 104669-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O4
InChI InChI=1S/C24H22N2O4/c1-29-20-11-16-8-10-26-22(23(27)17-7-9-25-13-19(17)24(26)28)18(16)12-21(20)30-14-15-5-3-2-4-6-15/h2-7,9,11-13,22-23,27H,8,10,14H2,1H3/t22-,23+/m1/s1
InChIKey GAYXPSDZWZSHPK-PKTZIBPZSA-N
Molecular Weight 402.450 g/mol
SMILES O[C@@]1([C@@]2(N(C(c3cnccc13)=O)CCc1cc(OC)c(cc21)OCc1ccccc1)[H])[H]
SPLASH splash10-052u-2900100000-dc7c5b422ac223697c55
Source of Spectrum I-64-1033-11
Wiley ID 1370463