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meso-Tetraphenyl-2,3-cis-dihydroxy-2,3-chlorin
SpectraBase Compound ID 8NwwogAIiFW
InChI InChI=1S/C44H32N4O2/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30/h1-26,43-44,46-47,49-50H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,41-39-,42-40-/t43-,44+
InChIKey CFLMAFPOJWFYLM-OVEQEUOSSA-N
Mol Weight 648.8 g/mol
Molecular Formula C44H32N4O2
Exact Mass 648.252526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZQ2i2I1b9l
Name meso-Tetraphenyl-2,3-cis-dihydroxy-2,3-chlorin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H32N4O2
InChI InChI=1S/C44H32N4O2/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30/h1-26,43-44,46-47,49-50H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,41-39-,42-40-/t43-,44+
InChIKey CFLMAFPOJWFYLM-OVEQEUOSSA-N
Molecular Weight 648.766 g/mol
SMILES [nH]1c2c(c3nc([C@@]([C@@]3(O)[H])(O)[H])c(c3ccc(c(c4nc(c(c1cc2)-c1ccccc1)cc4)-c1ccccc1)[nH]3)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-0000009000-6f059a7835dda2df6d01
Source of Spectrum J-63-2097-1
Synonyms (4R,5S)-2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaene-4,5-diol
Wiley ID 1413051