
CAS 19426-70-1: Copper pheophorbide A
Formula:C35H33CuN4O5·H
InChI:InChI=1S/C35H36N4O5.Cu/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1
InChI key:InChIKey=YHWYWUOREIAFEI-NYABAGMLSA-L
SMILES:CC1=C2[N-]3[Cu+2]45[N]=6C(=C7C3=C1C(=O)[C@@H]7C(OC)=O)[C@@H](CCC([O-])=O)[C@H](C)C6C=C8[N-]4C(=CC9=[N]5C(=C2)C(CC)=C9C)C(C=C)=C8C.[H+]
Synonyms:- Cuprate(1-), [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26]-, hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]-
- Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-κN23,κN24,κN25,κN26]-, hydrogen (1:1), (SP-4-2)-
- 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, copper complex, [3S-(3α,4β,21β)]-
- Copper, [dihydrogen 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-, 21-methyl ester
- Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-κN23,κN24,κN25,κN26]-, hydrogen, (SP-4-2)-
- copper(2+) hydrogen 3-[9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxido-23,25-didehydro-4,21-dihydro-3H-phorbin-23-id-3-yl]propanoate (1:1:1)
- Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-
- Hydrogen (3S-(3alpha,4beta,21beta))-(14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26)cuprate(1-)
- Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen, (SP-4-2)-
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