| SpectraBase Spectrum ID |
E2d0PdCWJSG |
| Name |
D-erythro-Pentaric acid, 4-butyl-2,4-dideoxy-3-C-(methoxycarbonyl)-, dimethyl ester |
| Alternate Name(s) |
(2R,3R)-trimethyl butylcitrate
1,5-Dimethyl 2-butyl-2,4-dideoxy-3-C-(methoxycarbonyl)-D-erythro-pentarate |
| CAS Registry Number |
64864-50-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O7 |
| InChI |
InChI=1S/C13H22O7/c1-5-6-7-9(11(15)19-3)13(17,12(16)20-4)8-10(14)18-2/h9,17H,5-8H2,1-4H3/t9-,13+/m0/s1 |
| InChIKey |
RHIOJQPWJIBYSO-TVQRCGJNSA-N |
| Molecular Weight |
290.312 g/mol |
| SMILES |
O[C@@]([C@](C(=O)OC)(CCCC)[H])(CC(=O)OC)C(=O)OC |
| SPLASH |
splash10-0002-3900000000-0e1c79b3eddc7db084c2 |
| Source of Spectrum |
SB-31-310-0 |
| Wiley ID |
1293260 |
