![#1A;1-(4'-HYDROXY-3'-METHOXYPHENYL)-2-[2''-HYDROXY-4''-(3'''-HYDROXYPHENYL)-PHENOXYL]-1,3-PROPANEDIOL-1-O-BETA-D-GLUCOPYRANOSIDE-PERACETATE;ERYTHRO-ISOMER](/api/spectrum/9s6onS6uDC5/structure.png?h=300&w=458 "#1A;1-(4'-HYDROXY-3'-METHOXYPHENYL)-2-[2''-HYDROXY-4''-(3'''-HYDROXYPHENYL)-PHENOXYL]-1,3-PROPANEDIOL-1-O-BETA-D-GLUCOPYRANOSIDE-PERACETATE;ERYTHRO-ISOMER")
| SpectraBase Compound ID | AewysJwZ0iE |
|---|---|
| InChI | InChI=1S/C41H50O20/c1-21(42)51-16-10-11-29-12-14-32(34(17-29)55-25(5)46)59-35(19-52-22(2)43)37(30-13-15-31(54-24(4)45)33(18-30)50-9)61-41-40(58-28(8)49)39(57-27(7)48)38(56-26(6)47)36(60-41)20-53-23(3)44/h12-15,17-18,35-41H,10-11,16,19-20H2,1-9H3/t35?,36-,37?,38-,39+,40-,41+/m1/s1 |
| InChIKey | WNNWNXVUYSBONO-BXZKYRDUSA-N |
| Mol Weight | 862.8 g/mol |
| Molecular Formula | C41H50O20 |
| Exact Mass | 862.289544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9s6onS6uDC5 |
|---|---|
| Name | #1A;1-(4'-HYDROXY-3'-METHOXYPHENYL)-2-[2''-HYDROXY-4''-(3'''-HYDROXYPHENYL)-PHENOXYL]-1,3-PROPANEDIOL-1-O-BETA-D-GLUCOPYRANOSIDE-PERACETATE;THREO-ISOMER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50O20 |
| InChI | InChI=1S/C41H50O20/c1-21(42)51-16-10-11-29-12-14-32(34(17-29)55-25(5)46)59-35(19-52-22(2)43)37(30-13-15-31(54-24(4)45)33(18-30)50-9)61-41-40(58-28(8)49)39(57-27(7)48)38(56-26(6)47)36(60-41)20-53-23(3)44/h12-15,17-18,35-41H,10-11,16,19-20H2,1-9H3/t35?,36-,37?,38-,39+,40-,41+/m1/s1 |
| InChIKey | WNNWNXVUYSBONO-BXZKYRDUSA-N |
| Literature Reference Author | K.MAKIDA,M.KIKUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,3654(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83751-J |
| Molecular Weight | 862.836 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27869 |