Pheophorbide a

CAS Registry Number®

15664-29-6
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CAS Name

Pheophorbide a

Molecular Formula

C35H36N4O5

Molecular Mass

592.68

Cite this Page

Pheophorbide a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=15664-29-6 (retrieved 2024-04-20) (CAS RN: 15664-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H36N4O5/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/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12?,23-13-,24-12-,25-14-,26-13?,27-14?,32-30?/t17-,21-,31+/m0/s1

InChIKey

InChIKey=NSFSLUUZQIAOOX-JTLCFGHISA-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(O)=O)[C@@H]6C)C(C)=C5C=C

Canonical SMILES

O=C(O)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)C(C(=O)OC)C62)=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-, (3S,4S,21R)-
  • Pheophorbide a
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl ester
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, [3S-(3α,4β,21β)]-
  • (3S,4S,21R)-9-Ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid

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Deleted or Replaced CAS Registry Numbers

28979-78-4, 29702-69-0

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