OEL
职业接触限值数据库
红紫素 18
Purpurin 18
紫红素-18, (17S-trans)-18-(2-Carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,20-dicarboxylic acid cyclic 2,20-anhydride, 3-[(1E,10Z,15Z,19Z,22S,23S)-12-Ethyl-13,18,22,27-tetramethyl-3,5-dioxo-17-vinyl-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1.1.1.0]heptacosa-1,6,9(27),10,12,14(26),15,17,19,21(24)-decaen-23-yl]propanoic acid, (15S,16S)-10-Ethenyl-5-ethyl-16,18-dihydro-6,11,15,22-tetramethyl-18,20-dioxo-15H,20H-4,7:14,17-diimino-2,21-metheno-9,12-nitrilopyrano[4,3-b]azacyclononadecine-16-propanoic Acid, (17S,18S)-18-(2-Carboxyethyl)-12-vinyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,20-dicarboxylic acid 2,20-anhydride, 3-[(1E,10Z,15Z,19Z,22S,23S)-12-Ethyl-13,18,22,27-tetramethyl-3,5-dioxo-17-vinyl-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1.1.1.0]heptacosa-1,6,9(27),10,12,14(26),15,17,19,21(2 4)-decaen-23-yl]propanoic acid, Purpurin a, Purpurin-18
CAS号: 25465-77-4
IUPAC名称: 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid
分子式: C33H32N4O5
分子量: 564.631
InChI: InChI=1S/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,36-37H,1,8-10H2,2-6H3,(H,38,39)/t16-,20-/m0/s1
InChIKey: KUFHJWJISCAHNP-JXFKEZNVSA-N
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=O)OC4=O)C)C
EINECS: -
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