Methyl (4aR,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-4a,7-dihydroxy-7-methyl-6-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Methyl (4aR,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-4a,7-dihydroxy-7-methyl-6-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Structure
Systematic / IUPAC Name: Methyl (4aR,6S,7R,7aS)-4a,7-dihydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
ID: Reference8137
Other Names: Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (4aR,6S,7R,7aS)-
Formula: C26H32O13
Spectral Data
Methyl (4aR,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-4a,7-dihydroxy-7-methyl-6-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-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 | 1 |
| No. of Spectra | 305 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/7/2018 1:12:20 PM |
Identificators
| InChI | InChI=1S/C26H32O13/c1-25(33)16(38-17(28)9-8-13-6-4-3-5-7-13)10-26(34)14(22(32)35-2)12-36-24(21(25)26)39-23-20(31)19(30)18(29)15(11-27)37-23/h3-9,12,15-16,18-21,23-24,27,29-31,33-34H,10-11H2,1-2H3/b9-8+/t15-,16+,18-,19+,20-,21-,23+,24?,25+,26+/m1/s1 |
| InChI Key | YRARGBWFOYODHQ-KHTUMDHASA-N |
| Canonical SMILES | CC1(C(CC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=CC=C4)O |
| CAS | |
| Splash | |
| Other Names | Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-6-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (4aR,6S,7R,7aS)- |