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(7R)(E/Z)-5-Aza-7-hydroxyprotoporphyrin 9 dimethyl ester
SpectraBase Compound ID 3yxtv3GLWHY
InChI InChI=1S/C35H37N5O6/c1-8-21-18(2)27-15-25-19(3)22(9-11-31(42)45-6)28(36-25)17-29-23(10-12-32(43)46-7)20(4)26(37-29)16-30-24(13-14-41)35(5,44)34(39-30)40-33(21)38-27/h8,13-17,37,44H,1,9-12H2,2-7H3,(H,38,39,40)/b24-13+/t35-/m1/s1
InChIKey LQFCAKXYMDUVCT-BMJGXTDESA-N
Mol Weight 623.7 g/mol
Molecular Formula C35H37N5O6
Exact Mass 623.274384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hpxyy5tOLL
Name (7R)(E/Z)-5-Aza-7-hydroxyprotoporphyrin 9 dimethyl ester
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Formula C35H37N5O6
InChI InChI=1S/C35H37N5O6/c1-8-21-18(2)27-15-25-19(3)22(9-11-31(42)45-6)28(36-25)17-29-23(10-12-32(43)46-7)20(4)26(37-29)16-30-24(13-14-41)35(5,44)34(39-30)40-33(21)38-27/h8,13-17,37,44H,1,9-12H2,2-7H3,(H,38,39,40)/b24-13+/t35-/m1/s1
InChIKey LQFCAKXYMDUVCT-BMJGXTDESA-N
Molecular Weight 623.710 g/mol
SMILES [nH]1c2nc3nc(\C([C@]3(O)C)=C\C=O)cc3c(c(c(cc4nc(cc1c(c2C=C)C)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C
SPLASH splash10-0udi-0001093000-699c40890ba32f96ed96
Source of Spectrum AT-33-1988-7
Synonyms (E/Z)-5-Aza-7-hydroxyprotoporphyrin 9 dimethyl ester Methyl 3-[(19E,20R)-20-hydroxy-14-(3-methoxy-3-oxopropyl)-5,9,15,20-tetramethyl-19-(2-oxoethylidene)-4-vinyl-2,21,22,23,24-pentaazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaen-10-yl]propanoate
Wiley ID 836169