| SpectraBase Spectrum ID |
FZrbCIoW9ET |
| Name |
3(1),5(1)-cyclo-3(1)-methyl-5(1)-hydroxy-2,7,8,12,13,17,18-heptaethyl-21H,23H-porphyrin structure |
| Alternate Name(s) |
11,12,16,17,21,22,26-heptaethyl-4-methyl-7,23,24,25-tetraazahexacyclo[18.2.1.1(5,8).1(10,13).1(15,18).0(2,6)]hexacosa-1(22),2(6),5(26),7,9,11,13,15(24),16,18,20-undecaen-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H46N4O |
| InChI |
InChI=1S/C37H46N4O/c1-9-20-22(11-3)29-17-31-24(13-5)25(14-6)35(40-31)34-36-33(19(8)37(34)42)26(15-7)32(41-36)18-30-23(12-4)21(10-2)28(39-30)16-27(20)38-29/h16-19,37,39-40,42H,9-15H2,1-8H3/b27-16-,28-16-,29-17-,30-18-,31-17-,32-18-,35-34+ |
| InChIKey |
BUCMRWIGJINQPB-LIHVINEOSA-N |
| Molecular Weight |
562.802 g/mol |
| SMILES |
[nH]1c2cc3c(c4c(c(C(C4C)O)c4c(c(c(cc5nc(cc1c(c2CC)CC)c(c5CC)CC)[nH]4)CC)CC)n3)CC |
| SPLASH |
splash10-03dm-0000090000-f424571e3f34dc2d8bd6 |
| Source of Spectrum |
HC-18-317-0 |
| Wiley ID |
1406989 |
