(17S,18S)-18-(2-Carboxyethyl)-7-Ethyl-3,8,13,17,20-Pentamethyl-12-Vinyl-17,18-Dihydro-2-Porphyrincarboxylic Acid
[CAS# 550-52-7]

Identification

• Name: (17S,18S)-18-(2-Carboxyethyl)-7-Ethyl-3,8,13,17,20-Pentamethyl-12-Vinyl-17,18-Dihydro-2-Porphyrincarboxylic Acid
• Synonyms: (17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17,20-pentamethyl-12-vinyl-17,18-dihydro-2-porphyrincarbonsäure; (17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17,20-pentamethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid; 21H,23H-Porphine-7-propanoic acid, 3-carboxy-13-ethenyl-18-ethyl-7,8-dihydro-2,5,8,12,17-pentamethyl-, (7S,8S)-
• Molecular Formula: C₃₃H₃₆N₄O₄
• Molecular Weight: 552.66
• CAS Registry Number: 550-52-7
• SMILES: CCC\1=C(c2/cc\3/c(c(/c(/[nH]3)c/c4n/c(c(\c5c(c(c([nH]5)/cc1\n2)C)C(=O)O)/C)/[C@H]([C@@H]4C)CCC(=O)O)C)C=C)C
• InChI: 1S/C33H36N4O4/c1-8-20-15(3)23-12-25-17(5)22(10-11-29(38)39)31(36-25)19(7)32-30(33(40)41)18(6)26(37-32)14-28-21(9-2)16(4)24(35-28)13-27(20)34-23/h8,12-14,17,22,34,37H,1,9-11H2,2-7H3,(H,38,39)(H,40,41)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,31-19-,32-19-/t17-,22-/m0/s1
• InChIKey: BAYNJLMXYJTMOX-XVHHMFMTSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 1019.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 570.5±32.9°C (Cal.)