Chem
J-GLOBAL ID：200907017317258755   Nikkaji number：J37.198J

Stercobilin

ステルコビリン
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： C33H46N4O6
Molecular formula furigana： C33-H46-N4-O6
Molecular weight： 594.753
InChI： InChI=1S/C33H46N4O6/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/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1
InChI key： DEEUSUJLZQQESV-OLFWPHQKSA-N
SMILES： CC[C@H]1[C@H](Cc2[nH]c(C=C3N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C)NC(=O)[C@@H]1C
Systematic name  (3)：
  • (2R,3R,4S,16S,17R,18R)-3,18-ジエチル-1,2,3,4,5,15,16,17,18,19,22,24-ドデカヒドロ-2,7,13,17-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロパン酸
  • 3-(2-{[3-(2-カルボキシエチル)-5-{[(2S,3R,4R)-4-エチル-3-メチル-5-オキソピロリジン-2-イル]メチル}-4-メチル-2H-ピロール-2-イリデン]メチル}-5-{[(2S,3R,4R)-3-エチル-4-メチル-5-オキソピロリジン-2-イル]メチル}-4-メチル-1H-ピロール-3-イル)プロパン酸
  • 3-(2-{[3-(2-carboxyethyl)-5-{[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Other name (5)：
  • ステルコビリン
  • ステルコビリンIXα
  • Stercobilin
  • Stercobilin IXα
  • (2R,3R,4S,16S,17R,18R)-3,18-Diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
CAS registry number： 34217-90-8
Regulation number (2)：
  • EINECS2518878
  • TSCA(34217-90-8)
KEGG COMPOUND： C05793
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM