| SpectraBase Compound ID | EUulOaN5lQt |
|---|---|
| InChI | InChI=1S/C21H32O9/c1-9(19(26)27)11-6-13-12(4-5-21(13,3)28)10(2)14(7-11)29-20-18(25)17(24)16(23)15(8-22)30-20/h11-18,20,22-25,28H,1-2,4-8H2,3H3,(H,26,27)/t11-,12-,13+,14-,15+,16+,17-,18+,20+,21-/m0/s1 |
| InChIKey | UKPWWKQDLQAYDL-ZSKBAYPQSA-N |
| Mol Weight | 428.5 g/mol |
| Molecular Formula | C21H32O9 |
| Exact Mass | 428.204633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUju4ME1ha2 |
|---|---|
| Name | 4-BETA-HYDROXY-1-ALPHA,5-ALPHA,7-ALPHA,9-ALPHA-H-GUAIA-10(14),11(13)-DIEN-12-ACID-9-O-BETA-D-GLUCOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O9 |
| InChI | InChI=1S/C21H32O9/c1-9(19(26)27)11-6-13-12(4-5-21(13,3)28)10(2)14(7-11)29-20-18(25)17(24)16(23)15(8-22)30-20/h11-18,20,22-25,28H,1-2,4-8H2,3H3,(H,26,27)/t11-,12-,13+,14-,15+,16+,17-,18+,20+,21-/m0/s1 |
| InChIKey | UKPWWKQDLQAYDL-ZSKBAYPQSA-N |
| Literature Reference Author | W.DING,R.HUANG,Z.ZHOU,Y.LI |
| Literature Reference Citation | MOLECULES,20,4450(2015) |
| Literature Reference DOI | 10.3390/molecules20034450 |
| Molecular Weight | 428.480 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA3035 |