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(1Z,5Z,9Z,14Z)-(12R,13S)-3,3,7,8,12,13,17,18-Octaethyl-12,13-dihydroxy-12,13,22,24-tetrahydro-3H-porphin-2-one
SpectraBase Compound ID 6t45Q2W9VYE
InChI InChI=1S/C36H48N4O3/c1-9-21-22(10-2)27-19-31-35(42,15-7)36(43,16-8)32(40-31)20-28-24(12-4)23(11-3)26(38-28)18-30-34(13-5,14-6)33(41)29(39-30)17-25(21)37-27/h17-20,37-38,42-43H,9-16H2,1-8H3/b25-17-,26-18-,27-19-,28-20-,29-17-,30-18-,31-19-,32-20-/t35-,36+/m0/s1
InChIKey UUFXPKUGEDNNDX-OBBVCLNOSA-N
Mol Weight 584.8 g/mol
Molecular Formula C36H48N4O3
Exact Mass 584.372641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzY6hK691ag
Name (1Z,5Z,9Z,14Z)-(12R,13S)-3,3,7,8,12,13,17,18-Octaethyl-12,13-dihydroxy-12,13,22,24-tetrahydro-3H-porphin-2-one
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Formula C36H48N4O3
InChI InChI=1S/C36H48N4O3/c1-9-21-22(10-2)27-19-31-35(42,15-7)36(43,16-8)32(40-31)20-28-24(12-4)23(11-3)26(38-28)18-30-34(13-5,14-6)33(41)29(39-30)17-25(21)37-27/h17-20,37-38,42-43H,9-16H2,1-8H3/b25-17-,26-18-,27-19-,28-20-,29-17-,30-18-,31-19-,32-20-/t35-,36+/m0/s1
InChIKey UUFXPKUGEDNNDX-OBBVCLNOSA-N
Molecular Weight 584.805 g/mol
SMILES [nH]1c2cc3nc([C@@]([C@@]3(O)CC)(O)CC)cc3c(c(c(cc4nc(cc1c(c2CC)CC)C(C4=O)(CC)CC)[nH]3)CC)CC
SPLASH splash10-00kk-0000090000-5bc0207765779beb3ae4
Source of Spectrum KC-1992-1469-5
Synonyms (14R,15S)-5,5,9,10,14,15,19,20-octaethyl-14,15-dihydroxy-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,6(24),7,9,11,13(22),16,18-nonaen-4-one 2,3,8,8,12,13,17,18-Octaethyl-17,18-dihydroxy-7-oxobacteriochlorin 2,3,8,8,12,13,17,18-Octaethyl-17,18-dihydroxy-7-oxobacteriochorin
Wiley ID 776545