| SpectraBase Spectrum ID |
2cSw5akVnO4 |
| Name |
12-[(2-hydroxy-4,5-dimethylphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H31N3O7 |
| InChI |
InChI=1S/C31H31N3O7/c1-18-13-20(23(35)14-19(18)2)15-34-11-9-32-26(36)16-40-24-7-3-5-21-28(24)31(39)29-22(30(21)38)6-4-8-25(29)41-17-27(37)33-10-12-34/h3-8,13-14,35H,9-12,15-17H2,1-2H3,(H,32,36)(H,33,37) |
| InChIKey |
WZIXYPBGZAJAOX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.1811 |
| Molecular Weight |
557.603 g/mol |
| SMILES |
N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(cc(c(c2)C)C)O)CC1)C3=O)=O)=O |
| SPLASH |
splash10-0uxr-4293100000-526e4eaed40f0d03ffe0 |
| Source of Spectrum |
Y-53-172-172-6 |
| Thin-Layer Chromatography |
Rf = 0.43 (EtOH/EtOAc, 1:10) |
| Wiley ID |
1877528 |
![12-[(2-hydroxy-4,5-dimethylphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone](/api/spectrum/2cSw5akVnO4/structure.png?h=300&w=458 "12-[(2-hydroxy-4,5-dimethylphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone")
