(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(β-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-α-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside
(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(β-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-α-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside Structure
Systematic / IUPAC Name: [(2S,3S,4S,5R,6S)-6-[[(1aS,2S,6S,6aS)-1a-(Hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
ID: Reference8053
Other Names:
Formula: C37H50O21
Spectral Data
(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(β-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-α-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/8/2018 12:31:55 PM |
Identificators
| InChI | InChI=1S/C37H50O21/c1-14-29(54-20(41)8-5-15-3-6-16(49-2)7-4-15)31(56-34-26(46)24(44)22(42)18(11-38)52-34)28(48)36(51-14)55-30-17-9-10-50-33(21(17)37(13-40)32(30)58-37)57-35-27(47)25(45)23(43)19(12-39)53-35/h3-10,14,17-19,21-36,38-40,42-48H,11-13H2,1-2H3/b8-5+/t14-,17?,18+,19+,21?,22+,23+,24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37+/m0/s1 |
| InChI Key | JKLAVFMVEROOKJ-ARADSITGSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C=CC7=CC=C(C=C7)OC |
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