
CAS Number27071-67-6
Synonyms(2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-3-yl]-1-oxopropoxy]-3,4,5-trihydroxy-2-tet
Molecular FormulaC39H44N4O12
Molecular Weight760.786
Purity96%%
Density1.5±0.1 g/cm3
Boiling Point1076.8±65.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 27071-67-6 |
| Catalog No. | 2A-9093092 |
| Chinese Name | 胆红素葡糖醛酸酯 |
| Synonyms | (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-3-yl]-1-oxopropoxy]-3,4,5-trihydroxy-2-tet |
| Molecular Formula | C39H44N4O12 |
| Molecular Weight | 760.786 |
| Purity | 96% |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 1076.8±65.0 °C at 760 mmHg |
| PubChem ID | 354310730 |
| SMILES | CC1=C(C=C)/C(NC1=O)=C/c2[nH]c(Cc3[nH]c(\C=C\4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)c2C |
| InChI | InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1 |
| InChI Key | InChIKey=ARBDURHEPGRPSR-LCNKTQGVSA-N |
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