Methyl (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-4'-[(1S)-1-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Methyl (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-4'-[(1S)-1-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate Structure
Systematic / IUPAC Name: Methyl (1S,4aS,7aS)-4'-[(1S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
ID: Reference8237
Other Names: Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-4a,7a-dihydro-4'-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5'-oxo-, methyl ester, (1S,4aS,7S,7aS)-
Formula: C30H32O14
Spectral Data
Methyl (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-4'-[(1S)-1-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate 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 | 4 |
| No. of Spectra | 5095 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/12/2018 6:58:12 AM |
Identificators
| InChI | InChI=1S/C30H32O14/c1-14(41-21(33)8-5-15-3-6-16(32)7-4-15)18-11-30(44-27(18)38)10-9-17-19(26(37)39-2)13-40-28(22(17)30)43-29-25(36)24(35)23(34)20(12-31)42-29/h3-11,13-14,17,20,22-25,28-29,31-32,34-36H,12H2,1-2H3/b8-5+/t14-,17+,20+,22+,23+,24-,25+,28-,29-,30?/m0/s1 |
| InChI Key | WBCMGDNFDRNGGZ-NCJPAETISA-N |
| Canonical SMILES | CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)O |
| CAS | |
| Splash | |
| Other Names | Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-4a,7a-dihydro-4'-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5'-oxo-, methyl ester, (1S,4aS,7S,7aS)- |