Chem
J-GLOBAL ID:200907080323556435
Nikkaji number:J31.867A
Glaucobilin
グラウコビリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C33 H38 N4 O6
Molecular formula furigana:
C33-H38-N4-O6
Molecular weight:
586.689
InChI:
InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChI key:
CXQHEXWJGZEPFP-UHFFFAOYSA-N
SMILES:
CCC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O
Systematic name (4):
3,18-ジエチル-1,19,22,24-テトラヒドロ-2,7,13,17-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロピオン酸
2-[2-オキソ-3-メチル-4-エチル-1H-ピロール-5(2H)-イリデンメチル]-3-メチル-5-[3-(2-カルボキシエチル)-4-メチル-5-[5-オキソ-3-メチル-4-エチル-1H-ピロール-2(5H)-イリデンメチル]-2H-ピロール-2-イリデンメチル]-1H-ピロール-4-プロパン酸
3-(2-{[3-(2-カルボキシエチル)-5-[(3-エチル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-4-メチル-1H-ピロール-2-イル]メチリデン}-5-[(4-エチル-3-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-4-メチル-2H-ピロール-3-イル)プロパン酸
3-(2-{[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-3-yl)propanoic acid
Other name (10):
グラウコビリン
メソビリベルジン
グラウコビリンIXα
メソビリベルジンIXα
Glaucobilin
Mesobiliverdin
Glaucobilin IXα
Mesobiliverdin IXα
3,18-Diethyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
2-[2-Oxo-3-methyl-4-ethyl-1H-pyrrole-5(2H)-ylidenemethyl]-3-methyl-5-[3-(2-carboxyethyl)-4-methyl-5-[5-oxo-3-methyl-4-ethyl-1H-pyrrole-2(5H)-ylidenemethyl]-2H-pyrrole-2-ylidenemethyl]-1H-pyrrole-4-propanoic acid
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CAS registry number:
493-88-9
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