| SpectraBase Spectrum ID |
ErS1ccACTEc |
| Name |
12-[(5-benzyl-2-hydroxyphenyl)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 |
C36H33N3O7 |
| InChI |
InChI=1S/C36H33N3O7/c40-28-13-12-24(18-23-6-2-1-3-7-23)19-25(28)20-39-16-14-37-31(41)21-45-29-10-4-8-26-33(29)36(44)34-27(35(26)43)9-5-11-30(34)46-22-32(42)38-15-17-39/h1-13,19,40H,14-18,20-22H2,(H,37,41)(H,38,42) |
| InChIKey |
XFWVHQZBRUQEHU-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.1811 |
| Molecular Weight |
619.674 g/mol |
| SMILES |
N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(ccc(c2)Cc2ccccc2)O)CC1)C3=O)=O)=O |
| SPLASH |
splash10-0udi-4292100000-72254bf155c6e6ba0702 |
| Source of Spectrum |
Y-53-172-172-9 |
| Thin-Layer Chromatography |
Rf = 0.43 (EtOH/EtOAc, 1:10) |
| Wiley ID |
1877531 |
![12-[(5-benzyl-2-hydroxyphenyl)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/ErS1ccACTEc/structure.png?h=300&w=458 "12-[(5-benzyl-2-hydroxyphenyl)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")
