| SpectraBase Spectrum ID |
LRygZF8ull9 |
| Name |
3-(Hydroxyheptyl)-2,712,18-tetramethyl-21H,23-Hporphine-13,17-dipropanoic acid dimethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H48N4O5 |
| InChI |
InChI=1S/C39H48N4O5/c1-8-9-10-11-12-36(44)39-25(5)32-20-31-24(4)28(14-16-38(46)48-7)34(42-31)21-33-27(13-15-37(45)47-6)23(3)30(41-33)18-26-17-22(2)29(40-26)19-35(39)43-32/h17-21,36,40,42,44H,8-16H2,1-7H3/b26-18-,29-19-,30-18-,31-20-,32-20-,33-21-,34-21-,35-19- |
| InChIKey |
HBZGHLMXVYIASH-YFVGMKEOSA-N |
| Molecular Weight |
652.836 g/mol |
| SMILES |
[nH]1c2cc3nc(c(C(O)CCCCCC)c3C)cc3c(cc(cc4nc(cc1c(c2C)CCC(=O)OC)c(c4C)CCC(=O)OC)[nH]3)C |
| SPLASH |
splash10-001r-0000009000-d892cdef6bbb727d10ea |
| Source of Spectrum |
AT-32-3479-3k |
| Synonyms |
3-(Hydroxyheptyl)-2,7,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropanoic acid dimethyl ester |
| Wiley ID |
836012 |
