Pheophorbide b
3-[(3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl]propanoic acid
Also Known As: Pheophorbide b|3-((3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo(18.2.1.15,8.110,13.115,18.02,6)hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl)propanoic acid|3-[(3R,21S,22S)-16-Ethenyl-11-ethyl-12-(hydroxymethylidene)-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl]propanoic acid|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-
| Molecular Formula | C35H34N4O6 |
|---|---|
| Molecular Weight | 606.24786 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.24786 |
| Monoisotopic Mass | 606.24786 |
| Heavy Atoms | 45 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 20239-99-0 |
|---|---|
| SMILES | CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)C |
| InChIKey | KZTYPOGXRFTJBN-UFPZPJHESA-N |
Product Overview
Pheophorbide b (CAS 20239-99-0), with molecular formula C35H34N4O6 and molecular weight 606.24786 g/mol. IUPAC: 3-[(3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl]propanoic acid.
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