Verbascoside A
Verbascoside A Structure
Systematic / IUPAC Name: (1aS,1bS,2S,5aR,6S,6aS)-6-({6-Deoxy-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
ID: Reference8049
Other Names: (2S,3R,4S,5R,6S)-4,5-Dihydroxy-6-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0(2)]dec-7-en-5-yl]oxy}-2-methyloxan-3-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Formula: C31H40O16
Spectral Data
Verbascoside A 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 |
| No. of Spectral Trees | 3 |
| No. of Spectra | 5596 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/8/2018 8:19:06 AM |
Identificators
| InChI | InChI=1S/C31H40O16/c1-13-25(44-18(34)8-5-14-3-6-15(40-2)7-4-14)22(37)24(39)29(42-13)45-26-16-9-10-41-28(19(16)31(12-33)27(26)47-31)46-30-23(38)21(36)20(35)17(11-32)43-30/h3-10,13,16-17,19-30,32-33,35-39H,11-12H2,1-2H3/b8-5+/t13-,16+,17+,19+,20+,21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31+/m0/s1 |
| InChI Key | RTCISXKUWWQSRF-FKGKEHBJSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)OC |
| CAS | |
| Splash | |
| Other Names | (2S,3R,4S,5R,6S)-4,5-Dihydroxy-6-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0(2)]dec-7-en-5-yl]oxy}-2-methyloxan-3-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate |