| SpectraBase Spectrum ID |
Hk7wdCCGscE |
| Name |
Hematoporphyrin dimethyl ester |
| Alternate Name(s) |
methyl 3-[10,15-bis(1-hydroxyethyl)-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 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H42N4O6 |
| InChI |
InChI=1S/C36H42N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29/h13-16,21-22,38-39,41-42H,9-12H2,1-8H3/b25-13-,26-14-,27-13-,28-15-,29-16-,30-16-,31-14-,32-15- |
| InChIKey |
BIONBQTVWKNFKA-HRBATZQVSA-N |
| Molecular Weight |
626.754 g/mol |
| SMILES |
[nH]1c2c(C(O)C)c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4C(O)C)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C |
| SPLASH |
splash10-004i-0000009000-354f6aa971c9816e724b |
| Source of Spectrum |
B-44-411-0 |
| Wiley ID |
1411895 |
