| SpectraBase Compound ID | FRQWPyWtcN1 |
|---|---|
| InChI | InChI=1S/C36H42O20/c1-47-20-9-15(5-7-18(20)37)33(45)51-13-25-28(40)30(42)32(44)36(56-25)54-19-8-6-17(12-21(19)48-2)53-35-31(43)29(41)27(39)24(55-35)14-52-34(46)16-10-22(49-3)26(38)23(11-16)50-4/h5-12,24-25,27-32,35-44H,13-14H2,1-4H3/t24-,25-,27-,28-,29+,30+,31-,32-,35-,36-/m0/s1 |
| InChIKey | MOSYHCNUQHYTFQ-QUVFEMCXSA-N |
| Mol Weight | 794.7 g/mol |
| Molecular Formula | C36H42O20 |
| Exact Mass | 794.226944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbHDgtgb21w |
|---|---|
| Name | EHLETIANOL_A;2-METHOXYHYDOQUINONE-1-O-(6-VANILLOYL)-BETA-D-GLUCOPYRANOSIDO-4-O-(6-SYRINGOYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O20 |
| InChI | InChI=1S/C36H42O20/c1-47-20-9-15(5-7-18(20)37)33(45)51-13-25-28(40)30(42)32(44)36(56-25)54-19-8-6-17(12-21(19)48-2)53-35-31(43)29(41)27(39)24(55-35)14-52-34(46)16-10-22(49-3)26(38)23(11-16)50-4/h5-12,24-25,27-32,35-44H,13-14H2,1-4H3/t24-,25-,27-,28-,29+,30+,31-,32-,35-,36-/m0/s1 |
| InChIKey | MOSYHCNUQHYTFQ-QUVFEMCXSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.KAGEYAMA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,39,659(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00931-I |
| Molecular Weight | 794.717 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ8585 |