![5-AMINOPENTYL-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSIDE]-(1->3)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/L4XEtsAxpC2/structure.png?h=300&w=458 "5-AMINOPENTYL-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSIDE]-(1->3)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 2UhGSA9cwfC |
|---|---|
| InChI | InChI=1S/C21H37NO13/c1-21(20(27)28)31-9-11-15(35-21)17(29-2)14(26)19(33-11)34-16-12(24)10(8-23)32-18(13(16)25)30-7-5-3-4-6-22/h10-19,23-26H,3-9,22H2,1-2H3,(H,27,28)/t10-,11-,12-,13-,14-,15-,16+,17-,18-,19+,21+/m1/s1 |
| InChIKey | IBFJCFQSNDBNPF-ZQJMGBIWSA-N |
| Mol Weight | 511.5 g/mol |
| Molecular Formula | C21H37NO13 |
| Exact Mass | 511.22649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4XEtsAxpC2 |
|---|---|
| Name | 5-AMINOPENTYL-O-[4,6-O-[(S)-1-CARBOXYETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSIDE]-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H37NO13 |
| InChI | InChI=1S/C21H37NO13/c1-21(20(27)28)31-9-11-15(35-21)17(29-2)14(26)19(33-11)34-16-12(24)10(8-23)32-18(13(16)25)30-7-5-3-4-6-22/h10-19,23-26H,3-9,22H2,1-2H3,(H,27,28)/t10-,11-,12-,13-,14-,15-,16+,17-,18-,19+,21+/m1/s1 |
| InChIKey | IBFJCFQSNDBNPF-ZQJMGBIWSA-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 | 511.524 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS20207 |