Account (2S,3S,4S,5R,6S)-6-((3-(2-((3-(3-(((2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-oxopropyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACQTHV191
- CAS No. :
- 17459-92-6
- Molecular Formula :
- C45H52N4O18
- Molecular Weight :
- 936.92
IUPAC Name:(2S,3S,4S,5R,6S)-6-((3-(2-((3-(3-(((2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-oxopropyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-6-((3-(2-((3-(3-(((2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-oxopropyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-((3-(2-((3-(3-(((2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-oxopropyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| MDL No. | MFCD09840054 |
| Molecular Formula | C45H52N4O18 |
| Molecular Weight | 936.92 |
| SMILES | OC([C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC(CCC(C(C)=C(N2)/C=C3C(C=C)=C(C(N/3)=O)C)=C2CC4=C(C(C)=C(N4)/C=C5C(C)=C(C(N/5)=O)C=C)CCC(O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)C(O)=O)=O)=O)=O |
| InChI Key | SCJLWMXOOYZBTH-BTVQFETGSA-N |
| Synonym | 2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic Acid Di--D-Glucopyranuronosyl Ester;Bilirubin Di-acyl--D-glucuronide;2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic Acid Di-b-D-Glucopyranuronosyl Ester;Bilirubin Di-acyl-b-D-glucuronide;Bilirubin Diglucuronid;(2S,3S,4S,5R,6S)-6-[3-[2-[[3-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-oxan-2-yl]oxycarbonylethyl]-5-[(E)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid;Bilirubin diglucuronide;2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid di(β-D-glucopyranuronosyl) ester |
| CAS No. | 17459-92-6 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACQTHV191 Molecular Building Block Synthetic Route
Bilirubindimethylester
3-(2-((3-(2-Carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
MEsobilirubin