Methyl pheophorbide b

CAS Registry Number®

5522-71-4
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CAS Name

Methyl pheophorbide b

Molecular Formula

C36H36N4O6

Molecular Mass

620.69

Cite this Page

Methyl pheophorbide b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5522-71-4 (retrieved 2024-09-21) (CAS RN: 5522-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-269 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H36N4O6/c1-8-19-16(3)23-12-24-17(4)21(10-11-29(42)45-6)33(39-24)31-32(36(44)46-7)35(43)30-18(5)25(40-34(30)31)13-27-20(9-2)22(15-41)28(38-27)14-26(19)37-23/h8,12-15,17,21,32,37,40H,1,9-11H2,2-7H3/b23-12?,24-12-,25-13-,26-14?,27-13?,28-14-,33-31?/t17-,21-,32+/m0/s1

InChIKey

InChIKey=NUQASTRTTSQPAJ-WNYOIWSCSA-N

SMILES

C(OC)(=O)[C@@H]1C=2C3=C(C1=O)C(C)=C(N3)C=C4C(CC)=C(C=O)C(=N4)C=C5NC(=CC6=NC2[C@@H](CCC(OC)=O)[C@@H]6C)C(C)=C5C=C

Canonical SMILES

O=CC=1C=2N=C(C=C3NC=4C(C(=O)C(C(=O)OC)C4C5=NC(=CC=6NC(C2)=C(C=C)C6C)C(C)C5CCC(=O)OC)=C3C)C1CC

Other Names for this Substance

  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, methyl ester, (3S,4S,21R)-
  • Pheophorbide b, methyl ester
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, methyl ester, [3S-(3α,4β,21β)]-
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-, dimethyl ester, (3S,4S,21R)-
  • Methyl pheophorbide b

Deleted or Replaced CAS Registry Numbers

10535-08-7, 25145-42-0