Chlorophyllide a

CAS Registry Number®

14897-06-4

CAS Name

Chlorophyllide a

Molecular Formula

C35H33MgN4O5.H

Cite this Page

Chlorophyllide a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14897-06-4 (retrieved 2024-11-22) (CAS RN: 14897-06-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H36N4O5.Mg/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

InChIKey

InChIKey=ANWUQYTXRXCEMZ-NYABAGMLSA-L

SMILES

CC1=C2[N-]3[Mg+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+]

Canonical SMILES

[H+].O=C([O-])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

  • Magnesate(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)-
  • Magnesium, [dihydrogen 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-, 21-methyl ester
  • Chlorophyllide a
  • Magnesate(1-), [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-κN23,κN24,κN25,κN26]-, hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]-
  • Magnesate(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)-

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Deleted or Replaced CAS Registry Numbers

18517-08-3, 24860-63-7, 24860-62-6, 26402-21-1, 83869-98-1, 194285-17-1

CAS INSIGHTSTM
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