| SpectraBase Spectrum ID |
IBLyiaiRsid |
| 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*)- |
| Alternate Name(s) |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[2-(acetyloxy)-5-methylphenyl]ethyl]-3,8,13,17-tetramethyl-, dimethyl ester, (R*,R*)-
Bis(methyl ester) of 2,4-bis[1-(2-acetoxy-5-methylphenyl)ethyl]deuteroporphyrin
methyl 3-[10,15-bis({1-[2-(acetyloxy)-5-methylphenyl]ethyl})-20-(3-methoxy-3-oxopropyl)-5,9,14,19-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 |
77773-69-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C(c2c(OC(=O)C)ccc(c2)C)C)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C)C(c1c(OC(=O)C)ccc(c1)C)C |
| SPLASH |
splash10-0006-0000000090-16f4c556a5df4bd1bf1b |
| Source of Spectrum |
J-46-3501-0 |
| Wiley ID |
1417973 |
![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/IBLyiaiRsid/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*)-")
