| SpectraBase Spectrum ID |
FdkHf2qc1po |
| Name |
o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
712.320724982 u |
| Formula |
C37H48N2O12 |
| InChI |
InChI=1S/C37H48N2O12/c1-9-21(4)29-35(45)48-22(5)27(39-32(42)24-16-13-17-25(38-19-40)30(24)47-8)33(43)50-28(20(2)3)34(44)49-26(18-23-14-11-10-12-15-23)31(41)37(6,7)36(46)51-29/h10-17,19-22,26-29,31,41H,9,18H2,1-8H3,(H,38,40)(H,39,42) |
| InChIKey |
MGPKGXHFCPPKBE-UHFFFAOYSA-N |
| Molecular Weight |
712.793 g/mol |
| SMILES |
C(NC1C(=O)OC(C(C)C)C(=O)OC(CC2=CC=CC=C2)C(O)C(C(OC(C(OC1C)=O)C(CC)C)=O)(C)C)(=O)C1=C(OC)C(NC=O)=CC=C1 |
