CAS Registry Number®
519-62-0
CAS Name
Chlorophyll b
Molecular Formula
C55H70MgN4O6
Other Names and Identifiers
InChI
InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1
InChIKey
InChIKey=NSMUHPMZFPKNMZ-VBYMZDBQSA-M
SMILES
CC1=C2[N-]3[Mg+2]45[N]=6C(=C7C3=C1C(=O)[C@@H]7C(OC)=O)[C@@H](CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)[C@H](C)C6C=C8[N-]4C(=CC9=[N]5C(=C2)C(CC)=C9C=O)C(C=C)=C8C
Canonical SMILES
O=CC=1C=2C=C3C(C=C)=C(C4=CC5=[N]6C(=C7C8=C(C(=O)C7C(=O)OC)C(=C9C=C(C1CC)[N]2[Mg+2]6([N-]34)[N-]98)C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C5C)C
Other Names for this Substance
- Magnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-κN23,κN24,κN25,κN26]-, (SP-4-2)-
- Magnesium, [dihydrogen 21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-, 21-methyl 3-phytyl ester, (E)-
- Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-κN23,κN24,κN25,κN26]-, [SP-4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-
- 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, magnesium complex, [3S-[3α(2E,7S*,11S*),4β,21β]]-
- Phorbine, magnesium deriv.
- (SP-4-2)-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-κN23,κN24,κN25,κN26]magnesium
- Chlorophyll b
- β-Chlorophyll
- Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-
- Chlorophyll-β
Deleted or Replaced CAS Registry Numbers
16103-80-3, 22088-17-1
