(1S,3aS,4R,6aR)-1,4-Bis(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl 6-O-{[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-D-glucopyranoside
(1S,3aS,4R,6aR)-1,4-Bis(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl 6-O-{[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-D-glucopyranoside Structure
Systematic / IUPAC Name: Methyl (4S,5E,6S)-4-[2-[[(2R,3S,4S,5R,6S)-6-[[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
ID: Reference8204
Other Names: β-D-Glucopyranoside, (1S,3aS,4R,6aR)-dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[2-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate]
Formula: C43H54O22
Spectral Data
(1S,3aS,4R,6aR)-1,4-Bis(4-hydroxy-3-methoxyphenyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl 6-O-{[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/13/2018 7:43:25 AM |
Identificators
| InChI | InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3/b20-5+/t21-,23+,28+,29+,31+,32+,33-,34-,35+,36+,37+,38+,40-,41-,42-,43+/m0/s1 |
| InChI Key | URBPIXMUXQEKHZ-AKZJQTFZSA-N |
| Canonical SMILES | CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(C(C(O3)OC45COC(C4COC5C6=CC(=C(C=C6)O)OC)C7=CC(=C(C=C7)O)OC)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranoside, (1S,3aS,4R,6aR)-dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[2-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate] |