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21H-Bilin-1(2H)-one, 3,17,18,23-tetrahydro-3,3,7,8,12,13,17,17,19-nonamethyl-
SpectraBase Compound ID 61NVkxR36IH
InChI InChI=1S/C28H36N4O/c1-15-13-27(6,7)24(29-15)11-22-18(4)16(2)20(30-22)10-21-17(3)19(5)23(31-21)12-25-28(8,9)14-26(33)32-25/h10-12,15H,13-14H2,1-9H3,(H,32,33)/b21-10-,22-11-,25-12-
InChIKey LZZYEEMCKVVZOI-AFHNMYGLSA-N
Mol Weight 444.6 g/mol
Molecular Formula C28H36N4O
Exact Mass 444.288912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Busozkise7z
Name 21H-Bilin-1(2H)-one, 3,17,18,23-tetrahydro-3,3,7,8,12,13,17,17,19-nonamethyl-
CAS Registry Number 113661-70-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N4O
InChI InChI=1S/C28H36N4O/c1-15-13-27(6,7)24(29-15)11-22-18(4)16(2)20(30-22)10-21-17(3)19(5)23(31-21)12-25-28(8,9)14-26(33)32-25/h10-12,15H,13-14H2,1-9H3,(H,32,33)/b21-10-,22-11-,25-12-
InChIKey LZZYEEMCKVVZOI-AFHNMYGLSA-N
Molecular Weight 444.623 g/mol
SMILES N1C(CC(\C1=C/C1=N\C(=C/C2=N\C(=C/C3=NC(C)CC3(C)C)C(=C2C)C)C(=C1C)C)(C)C)=O
SPLASH splash10-002f-0000900000-fb85ac334a3e4a0557f4
Source of Spectrum KC-1987-1675-36
Synonyms (5Z)-5-{[(2Z)-2-({(2Z)-3,4-dimethyl-2-[(2,4,4-trimethyl-3,4-dihydro-2H-pyrrol-5-yl)methylene]-2H-pyrrol-5-yl}methylene)-3,4-dimethyl-2H-pyrrol-5-yl]methylene}-4,4-dimethyl-2-pyrrolidinone 1,3,3,7,8,12,13,17,17-Nonamethyl-2,3,17,18-tetrahydrobilin-19(24H)-one
Wiley ID 1386129