![2-ACETYL-1,5-DIHYDROXY-3-METHYL-8-O-[BETA-XYLOPYRANOSYL-16-O-(BETA-GLUCOPYRANOSIDE)]-NAPHTHALENE](/api/spectrum/EXAr4WJllpm/structure.png?h=300&w=458 "2-ACETYL-1,5-DIHYDROXY-3-METHYL-8-O-[BETA-XYLOPYRANOSYL-16-O-(BETA-GLUCOPYRANOSIDE)]-NAPHTHALENE")
| SpectraBase Compound ID | 172LJQZ3wuR |
|---|---|
| InChI | InChI=1S/C24H30O13/c1-8-5-10-11(26)3-4-13(16(10)19(30)15(8)9(2)25)36-24-22(33)20(31)18(29)14(37-24)7-35-23-21(32)17(28)12(27)6-34-23/h3-5,12,14,17-18,20-24,26-33H,6-7H2,1-2H3/t12-,14-,17+,18-,20+,21-,22-,23+,24-/m0/s1 |
| InChIKey | PXPMKWLZBSCHGL-ILSDDAPQSA-N |
| Mol Weight | 526.49 g/mol |
| Molecular Formula | C24H30O13 |
| Exact Mass | 526.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXAr4WJllpm |
|---|---|
| Name | 2-ACETYL-1,5-DIHYDROXY-3-METHYL-8-O-[BETA-XYLOPYRANOSYL-16-O-(BETA-GLUCOPYRANOSIDE)]-NAPHTHALENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H30O13 |
| InChI | InChI=1S/C24H30O13/c1-8-5-10-11(26)3-4-13(16(10)19(30)15(8)9(2)25)36-24-22(33)20(31)18(29)14(37-24)7-35-23-21(32)17(28)12(27)6-34-23/h3-5,12,14,17-18,20-24,26-33H,6-7H2,1-2H3/t12-,14-,17+,18-,20+,21-,22-,23+,24-/m0/s1 |
| InChIKey | PXPMKWLZBSCHGL-ILSDDAPQSA-N |
| Literature Reference Author | S.J.BLOOR |
| Literature Reference Citation | PHYTOCHEM.,58,923(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00343-0 |
| Molecular Weight | 526.494 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU3045 |