| SpectraBase Spectrum ID |
FJ799hQTF2G |
| Name |
Tetraethyl 7,8,17,18-tetrahydroxy-2,7,12,17-tetramethyl-21H,23H-porphine-3,8,13,18-tetrapropionate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
834.405123312 u |
| Formula |
C44H58N4O12 |
| InChI |
InChI=1S/C44H58N4O12/c1-9-57-37(49)15-13-27-25(5)29-21-35-43(55,19-17-39(51)59-11-3)42(8,54)34(48-35)24-32-28(14-16-38(50)58-10-2)26(6)30(46-32)22-36-44(56,20-18-40(52)60-12-4)41(7,53)33(47-36)23-31(27)45-29/h21-24,45-46,53-56H,9-20H2,1-8H3/b29-21-,30-22-,31-23-,32-24-,33-23-,34-24-,35-21-,36-22- |
| InChIKey |
UTZFVGBXZCYPAN-UQEDSVRDSA-N |
| Molecular Weight |
834.964 g/mol |
| SMILES |
C1=2NC(=CC3=NC(=CC4=C(C(=C(C=C5N=C(C2)C(C5(CCC(OCC)=O)O)(C)O)N4)C)CCC(OCC)=O)C(C3(O)CCC(OCC)=O)(C)O)C(=C1CCC(OCC)=O)C |
