Scrospioside D
Scrospioside D Structure
Systematic / IUPAC Name: (1aS,1bS,2S,5aR,6S,6aS)-6-({2,4-Di-O-Acetyl-6-deoxy-3-O-[(2E)-3-phenyl-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: Reference8050
Other Names: (2S,3R,4R,5S,6S)-3,5-Bis(acetyloxy)-2-{[(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[4.4.0.0²,4]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate
Formula: C34H42O17
Spectral Data
Scrospioside D 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 | 2 |
| No. of Spectra | 1988 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/8/2018 9:12:46 AM |
Identificators
| InChI | InChI=1S/C34H42O17/c1-15-26(45-16(2)37)28(48-21(39)10-9-18-7-5-4-6-8-18)29(46-17(3)38)33(44-15)49-27-19-11-12-43-31(22(19)34(14-36)30(27)51-34)50-32-25(42)24(41)23(40)20(13-35)47-32/h4-12,15,19-20,22-33,35-36,40-42H,13-14H2,1-3H3/b10-9+/t15-,19+,20+,22+,23+,24-,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+/m0/s1 |
| InChI Key | XTDOKCBBQODVJW-LTDPXCIYSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)OC(=O)C=CC6=CC=CC=C6)OC(=O)C |
| CAS | |
| Splash | |
| Other Names | (2S,3R,4R,5S,6S)-3,5-Bis(acetyloxy)-2-{[(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[4.4.0.0²,4]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate |