![METHYL-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/9GR6ckS9Zjz/structure.png?h=300&w=458 "METHYL-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | CM1OiYo06Bp |
|---|---|
| InChI | InChI=1S/C17H28O13/c1-17(16(22)23)26-5-7-11(30-17)13(24-2)10(21)15(28-7)29-12-8(19)6(4-18)27-14(25-3)9(12)20/h6-15,18-21H,4-5H2,1-3H3,(H,22,23)/t6-,7+,8-,9-,10+,11+,12+,13+,14-,15-,17-/m0/s1 |
| InChIKey | OALFLXVJHZZLOI-FGTKZRNHSA-N |
| Mol Weight | 440.4 g/mol |
| Molecular Formula | C17H28O13 |
| Exact Mass | 440.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GR6ckS9Zjz |
|---|---|
| Name | METHYL-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H28O13 |
| InChI | InChI=1S/C17H28O13/c1-17(16(22)23)26-5-7-11(30-17)13(24-2)10(21)15(28-7)29-12-8(19)6(4-18)27-14(25-3)9(12)20/h6-15,18-21H,4-5H2,1-3H3,(H,22,23)/t6-,7+,8-,9-,10+,11+,12+,13+,14-,15-,17-/m0/s1 |
| InChIKey | OALFLXVJHZZLOI-FGTKZRNHSA-N |
| Literature Reference Author | T.ZIEGLER,E.ECKHARDT,V.BIRAULT |
| Literature Reference Citation | J.ORG.CHEM.,58,1090(1993) |
| Literature Reference DOI | 10.1021/jo00057a021 |
| Molecular Weight | 440.402 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS20204 |