| SpectraBase Spectrum ID |
Kz0pMrom4RC |
| Name |
5,10,15-Trihexyl-17,18-dihydroxy-20-(4-methoxycarbonylphenyl)-17,18-chlorin |
| Appearance |
Violet microcrystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H58N4O4 |
| InChI |
InChI=1S/C46H58N4O4/c1-5-8-11-14-17-32-35-24-25-36(47-35)33(18-15-12-9-6-2)38-28-29-40(49-38)41(30-20-22-31(23-21-30)46(53)54-4)43-45(52)44(51)42(50-43)34(19-16-13-10-7-3)39-27-26-37(32)48-39/h20-29,44-45,48-49,51-52H,5-19H2,1-4H3/b35-32-,36-33-,37-32-,38-33-,39-34-,41-40-,42-34-,43-41-/t44-,45+/m1/s1 |
| InChIKey |
XWBQKPOFGJFALL-TYBKHBRHSA-N |
| Ionization Type |
EI |
| Molecular Weight |
730.994 g/mol |
| Reported Formula |
C46H58N4O4 |
| SMILES |
[nH]1c2c(c3ccc(c(c4ccc(c(c5nc([C@]([C@]5(O)[H])(O)[H])c(c1cc2)CCCCCC)-c1ccc(cc1)C(=O)OC)[nH]4)CCCCCC)n3)CCCCCC |
| SPLASH |
splash10-03kc-0000009600-031ecf620dd7053a5a1a |
| Source of Spectrum |
US9315510B2 |
| Wiley ID |
1851023 |
