Chlorophyllide b

CAS Registry Number®

14428-12-7

CAS Name

Chlorophyllide b

Molecular Formula

C35H31MgN4O6.H

Cite this Page

Chlorophyllide b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14428-12-7 (retrieved 2024-11-25) (CAS RN: 14428-12-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1

InChIKey

InChIKey=QPDWBRHRBKXUNS-IEEIVXFASA-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=O)C(C=C)=C8C.[H+]

Canonical SMILES

[H+].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)[O-])C5C)C

Other Names for this Substance

  • Magnesate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(3-)-κN23,κN24,κN25,κN26]-, hydrogen (1:1), (SP-4-2)-
  • Magnesium, [dihydrogen 21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-, 21-methyl ester
  • Chlorophyllide b
  • Magnesate(1-), [9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(3-)-κN23,κN24,κN25,κN26]-, hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, magnesium complex, [3S-(3α,4β,21β)]-

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