Methyl pheophorbide a

CAS Registry Number®

5594-30-9
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CAS Name

Methyl pheophorbide a

Molecular Formula

C36H38N4O5

Molecular Mass

606.71

Cite this Page

Methyl pheophorbide a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5594-30-9 (retrieved 2024-09-19) (CAS RN: 5594-30-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226-228 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37,40H,1,10-12H2,2-8H3/b23-13?,24-14-,25-13-,26-15-,27-14?,28-15?,33-31?/t18-,22-,32+/m0/s1

InChIKey

InChIKey=IWKYEJKHXKRZIJ-QYDDAJHMSA-N

SMILES

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

Canonical SMILES

O=C(OC)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)C(C(=O)OC)C26)=C5C)C(=C4C)CC)=C(C=C)C3C)C1C

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

7397-90-2, 7498-01-3, 17390-83-9, 33256-01-8