| SpectraBase Spectrum ID |
ADogcPwXxBI |
| Name |
21H,23H-Porphine-2,7,18-tripropanoic acid, 13-(1-hydroxyethyl)-3,8,12,17-tetramethyl-, trimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
668.320999766 u |
| Formula |
C38H44N4O7 |
| InChI |
InChI=1S/C38H44N4O7/c1-19-24(9-12-35(44)47-6)31-16-28-20(2)25(10-13-36(45)48-7)32(40-28)18-33-26(11-14-37(46)49-8)21(3)29(41-33)17-34-38(23(5)43)22(4)30(42-34)15-27(19)39-31/h15-18,23,40,42-43H,9-14H2,1-8H3/b27-15-,28-16-,29-17-,30-15-,31-16-,32-18-,33-18-,34-17- |
| InChIKey |
GWJLOGZHXNUKCS-ZYHOEOSWSA-N |
| SMILES |
C=12N=C(C=C3C(=C(C)C(N3)=CC3=NC(=CC=4NC(C1)=C(C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC)C(O)C)C(=C2CCC(=O)OC)C |
