| SpectraBase Spectrum ID |
87Qh3w4hAzB |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[2-(acetyloxy)-5-methylphenyl]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester, (R*,S*)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
890.425464836 u |
| Formula |
C54H58N4O8 |
| InChI |
InChI=1S/C54H58N4O8/c1-27-13-17-49(65-35(9)59)39(21-27)31(5)53-33(7)43-23-41-29(3)37(15-19-51(61)63-11)45(55-41)26-46-38(16-20-52(62)64-12)30(4)42(56-46)24-47-54(34(8)44(58-47)25-48(53)57-43)32(6)40-22-28(2)14-18-50(40)66-36(10)60/h13-14,17-18,21-26,31-32,56-57H,15-16,19-20H2,1-12H3/b41-23-,42-24-,43-23-,44-25-,45-26-,46-26-,47-24-,48-25- |
| InChIKey |
PSJXQWFTXNPCQT-RYMCYAQTSA-N |
| Molecular Weight |
891.078 g/mol |
| SMILES |
C=12C(=C(C)C(=N2)C=C2C(=C(C)C(N2)=CC2=NC(=CC=3NC(C1)=C(C3CCC(=O)OC)C)C(=C2C)CCC(=O)OC)C(C=1C(OC(=O)C)=CC=C(C1)C)C)C(C=1C(OC(=O)C)=CC=C(C1)C)C |
![21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[2-(acetyloxy)-5-methylphenyl]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester, (R*,S*)-](/api/spectrum/87Qh3w4hAzB/structure.png?h=300&w=458 "21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[2-(acetyloxy)-5-methylphenyl]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester, (R*,S*)-")
