Chlorophyll a

CAS Registry Number®

479-61-8

CAS Name

Chlorophyll a

Molecular Formula

C55H72MgN4O5

Cite this Page

Chlorophyll a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=479-61-8 (retrieved 2024-11-23) (CAS RN: 479-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    66-67 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

InChIKey

InChIKey=ATNHDLDRLWWWCB-AENOIHSZSA-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)C(C=C)=C8C

Canonical SMILES

O=C(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CCC1C2=C3C4=C(C(=O)C3C(=O)OC)C(=C5C=C6C(=C(C=7C=C8C(C=C)=C(C9=CC(=[N]2[Mg+2]([N]76)([N-]89)[N-]54)C1C)C)C)CC)C

Other Names for this Substance

  • Magnesium, [(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-κN23,κN24,κN25,κN26]-, (SP-4-2)-
  • Magnesium, [dihydrogen 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-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-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-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-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, magnesium complex, [3S-[3α(2E,7S*,11S*),4β,21β]]-
  • Phorbine, magnesium deriv.

View All

Deleted or Replaced CAS Registry Numbers

1407-41-6, 10579-94-9, 11012-21-8, 22088-09-1, 23389-17-5

CAS INSIGHTSTM
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