Chlorophyllide c1

CAS Registry Number®

18901-56-9

CAS Name

Chlorophyllide c1

Molecular Formula

C35H29MgN4O5.H

Cite this Page

Chlorophyllide c1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18901-56-9 (retrieved 2024-11-25) (CAS RN: 18901-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H32N4O5.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;/h8,10-14,31H,1,9H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b11-10+,22-12?,23-13-,24-12-,25-14-,26-13?,27-14?,32-30?;/t31-;/m1./s1

InChIKey

InChIKey=DGNIJJSSARBJSH-XRADJSLJSA-L

SMILES

CC1=C2[N-]3[Mg+2]45[N]=6C(=C7C3=C1C(=O)[C@@H]7C(OC)=O)C(/C=C/C([O-])=O)=C(C)C6C=C8[N-]4C(=CC9=[N]5C(=C2)C(CC)=C9C)C(C=C)=C8C.[H+]

Canonical SMILES

[H+].O=C([O-])C=CC=1C2=C3C4=C(C(=O)C3C(=O)OC)C(=C5C=C6C(=C(C=7C=C8C(C=C)=C(C9=CC(C1C)=[N]2[Mg+2]([N]76)([N-]89)[N-]54)C)C)CC)C

Other Names for this Substance

  • Magnesate(1-), [21-methyl (21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-21-phorbinecarboxylato(3-)-κN23,κN24,κN25,κN26]-, hydrogen (1:1), (SP-4-2)-
  • Magnesium, [dihydrogen 21-carboxy-3,4-didehydro-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3-phorbineacrylato(2-)]-, 21-methyl ester, (E)-
  • Magnesate(1-), [21-methyl 3-(2-carboxyethenyl)-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-21-phorbinecarboxylato(3-)-κN23,κN24,κN25,κN26]-, hydrogen, [SP-4-2-[S-(E)]]-
  • Magnesate(1-), [21-methyl (21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-21-phorbinecarboxylato(3-)-κN23,κN24,κN25,κN26]-, hydrogen, (SP-4-2)-
  • Magnesate(1-), [21-methyl 3-(2-carboxyethenyl)-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-21-phorbinecarboxylato(3-)-N23,N24,N25,N26]-, hydrogen, [SP-4-2-[S-(E)]]-

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Deleted or Replaced CAS Registry Numbers

15218-60-7, 18786-00-0, 28346-78-3

CAS INSIGHTSTM
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