7-Ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoic acid

CAS Registry Number®

25162-02-1

CAS Name

7-Ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoic acid

Molecular Formula

C49H58N4O6

Molecular Mass

799.01

Cite this Page

7-Ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25162-02-1 (retrieved 2025-03-14) (CAS RN: 25162-02-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H58N4O6/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39/h9,13,15,17,23-27,46,51-52,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59)/b29-15?,30-17?,38-23-,39-25-,40-24?,41-23?,42-26-,43-26?,44-24-,45-25?

InChIKey

InChIKey=OEKBVRFTJDBKQF-JRBVNWESSA-N

SMILES

C(CC(O)=O)C=1C=2N=C(C1C=O)C=C3C(C)=C(C(CCC=C(CCC=C(CCC=C(C)C)C)C)O)C(N3)=CC4=NC(=CC=5NC(C2)=C(CCC(O)=O)C5C)C(C=C)=C4C

Canonical SMILES

O=CC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5C(O)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C(=C4C=C)C)=C(C3CCC(=O)O)C)C1CCC(=O)O

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13-trimethyl-, (E,E)-
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl]-3,8,13-trimethyl-
  • 7-Ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoic acid
  • Porphyrin a

CAS INSIGHTSTM
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