| SpectraBase Spectrum ID |
6pPHhYezkt8 |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,13-diacetyl-3,8,12,17-tetramethyl-, dimethyl ester |
| Alternate Name(s) |
Diacetyldeuteroporphyrin-XIII dimethyl ester
methyl 3-[9,15-diacetyl-20-(3-methoxy-3-oxopropyl)-5,10,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate |
| CAS Registry Number |
75162-27-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38N4O6 |
| InChI |
InChI=1S/C36H38N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)15-32-36(22(6)42)20(4)28(40-32)13-27-19(3)35(21(5)41)31(39-27)14-25(17)37-29/h13-16,37,40H,9-12H2,1-8H3/b25-14-,26-15-,27-13-,28-13-,29-16-,30-16-,31-14-,32-15- |
| InChIKey |
LNYDDXQQMUQFJQ-HYIFYYPQSA-N |
| Molecular Weight |
622.722 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C(=O)C)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C(=O)C)C |
| SPLASH |
splash10-00di-0000009000-22316c78b8fc86f5a8e4 |
| Source of Spectrum |
KC-1987-275-3 |
| Wiley ID |
1411671 |
