550-52-7
21H,23H-PORPHINE-7-PROPANOIC ACID, 3-CARBOXY-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,5,8,12,17-PENTAMETHYL-, (7S,8S)-
Name21H,23H-PORPHINE-7-PROPANOIC ACID, 3-CARBOXY-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,5,8,12,17-PENTAMETHYL-, (7S,8S)-
1Identification
【Name】
21H,23H-PORPHINE-7-PROPANOIC ACID, 3-CARBOXY-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,5,8,12,17-PENTAMETHYL-, (7S,8S)-
【CAS】
【MDL】
MFCD10566749
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C33 H36 N4 O4
【pro_molWeight】
552.671
【Inchi】
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】
InChIKey=BAYNJLMXYJTMOX-XVHHMFMTSA-N
【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
【MOL File】
21H,23H-PORPHINE-7-P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
21H,23H-PORPHINE-7-PROPANOIC ACID, 3-CARBOXY-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,5,8,12,17-PENTAMETHYL-, (7S,8S)-.cml