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3-(1-Methoxyethyl)-7-hydroxy-8-oxo-2,7,12,18-tetramethyl-7,8(21H,23H)-dihydroporhine-13,17-bis-propanoic acid, dimethyl ester

View entire compound with spectra: 2 MS (GC)

3-(1-Methoxyethyl)-7-hydroxy-8-oxo-2,7,12,18-tetramethyl-7,8(21H,23H)-dihydroporhine-13,17-bis-propanoic acid, dimethyl ester
SpectraBase Compound ID 8UWmOAq4MKK
InChI InChI=1S/C35H40N4O7/c1-17-21(9-11-31(40)45-7)26-15-27-22(10-12-32(41)46-8)18(2)24(37-27)14-29-34(42)35(5,43)30(39-29)16-28-33(20(4)44-6)19(3)25(38-28)13-23(17)36-26/h13-16,20,37-38,43H,9-12H2,1-8H3/b23-13-,24-14-,25-13-,26-15-,27-15-,28-16-,29-14-,30-16-
InChIKey HZMCJTCQGUWWOO-PINNOMMASA-N
Mol Weight 628.7 g/mol
Molecular Formula C35H40N4O7
Exact Mass 628.2897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzshsTR0LyK
Name 3-(1-Methoxyethyl)-7-hydroxy-8-oxo-2,7,12,18-tetramethyl-7,8(21H,23H)-dihydroporhine-13,17-bis-propanoic acid, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40N4O7
InChI InChI=1S/C35H40N4O7/c1-17-21(9-11-31(40)45-7)26-15-27-22(10-12-32(41)46-8)18(2)24(37-27)14-29-34(42)35(5,43)30(39-29)16-28-33(20(4)44-6)19(3)25(38-28)13-23(17)36-26/h13-16,20,37-38,43H,9-12H2,1-8H3/b23-13-,24-14-,25-13-,26-15-,27-15-,28-16-,29-14-,30-16-
InChIKey HZMCJTCQGUWWOO-PINNOMMASA-N
Molecular Weight 628.726 g/mol
SMILES [nH]1c2c(c(c1cc1C(C(c(cc3c(c(c(cc4nc(c2)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C)n1)=O)(O)C)C(OC)C)C
SPLASH splash10-004i-7100069000-7bd5333d4245aacfd0d3
Wiley ID 1477063