| SpectraBase Spectrum ID |
Ja9sxjaFmWY |
| Name |
Rocellaric acid - methyl ester |
| Alternate Name(s) |
(+)-Rocellaric Acid Methyl Ester
(2R,3S,4S)-4-Methyl-5-oxo-2-tridecyl-tetrahydro-furan-3-carboxylic acid methyl ester
Methyl 2-oxo-3-methyl-5-tridecyl-tetrahydrofuran)-4-carboxylate
Methyl (2R,3S,4S)-4-methyl-5-oxo-2-tridecyltetrahydro-3-furancarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20(22)23-3)16(2)19(21)24-17/h16-18H,4-15H2,1-3H3/t16-,17+,18-/m0/s1 |
| InChIKey |
SQDGVUUDXHCECA-KSZLIROESA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
[C@@]1([C@](OC([C@]1(C)[H])=O)(CCCCCCCCCCCCC)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-014i-9213000000-87603478f71fbd2515e4 |
| Source of Spectrum |
J-61-6452-11 |
| Wiley ID |
1335367 |
