| SpectraBase Spectrum ID |
67DffkdB2m2 |
| Name |
benzyl 2'-O-benzylisopatagonate |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenyl 2-(benzyloxy)-4-methoxy-6-(2-oxononyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H42O8 |
| InChI |
InChI=1S/C39H42O8/c1-4-5-6-7-14-19-31(40)21-30-22-32(44-3)24-35(45-25-28-15-10-8-11-16-28)37(30)39(43)47-33-20-27(2)36(34(41)23-33)38(42)46-26-29-17-12-9-13-18-29/h8-13,15-18,20,22-24,41H,4-7,14,19,21,25-26H2,1-3H3 |
| InChIKey |
HKBGOAIPNCIAOT-UHFFFAOYSA-N |
| Molecular Weight |
638.757 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CC(=O)CCCCCCC)OC)OCc2ccccc2)=O)cc(c1C(OCc1ccccc1)=O)C |
| SPLASH |
splash10-0006-9000000000-dd183f25541936fe12e9 |
| Source of Spectrum |
B-47-1335-0 |
| Wiley ID |
1412529 |
