| SpectraBase Spectrum ID |
LQGgTTIse7j |
| Name |
21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, 12-methyl 2,18-bis(phenylmethyl) ester |
| CAS Registry Number |
99602-83-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H52N4O8 |
| InChI |
InChI=1S/C51H52N4O8/c1-30-36(16-20-48(56)57)44-25-42-32(3)37(17-21-49(58)61-5)45(54-42)26-43-33(4)39(19-23-51(60)63-29-35-14-10-7-11-15-35)47(55-43)27-46-38(31(2)41(53-46)24-40(30)52-44)18-22-50(59)62-28-34-12-8-6-9-13-34/h6-15,24-27,52,55H,16-23,28-29H2,1-5H3,(H,56,57)/b40-24-,41-24-,42-25-,43-26-,44-25-,45-26-,46-27-,47-27- |
| InChIKey |
IUDANAOXQBLGEV-JMOPZKFSSA-N |
| Molecular Weight |
848.997 g/mol |
| SMILES |
[nH]1c2cc3nc(cc4c(c(CCC(=O)O)c(cc5nc(cc1c(c2CCC(=O)OCc1ccccc1)C)c(c5C)CCC(=O)OC)[nH]4)C)c(c3CCC(=O)OCc1ccccc1)C |
| SPLASH |
splash10-01vk-0000000590-471b65c81e6df2b9ed97 |
| Source of Spectrum |
KC-1985-1707-36 |
| Synonyms |
13,17-bis(2-benzyloxycarbonylethyl)-3-(2-hydroxycarbonylethyl)-8-(2-methoxycarbonylethyl)-2,7,12,18-tetramethylporphine
3-{10,14-bis[3-(benzyloxy)-3-oxopropyl]-19-(3-methoxy-3-oxopropyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl}propanoic acid |
| Wiley ID |
1417683 |
