1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23,24-Pentahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
8160
Reference
1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23,24-Pentahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose Structure
Systematic / IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
ID: Reference8160
Other Names: β-D-Glucopyranose, 1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23,24-pentahydroxy-28-oxoolean-12-en-28-yl]-
Formula: C36H58O12
Spectral Data
1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23,24-Pentahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose 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 | 105 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/21/2018 10:27:48 AM |
Identificators
| InChI | InChI=1S/C36H58O12/c1-31(2)10-12-35(30(46)48-29-26(43)25(42)24(41)20(15-37)47-29)13-11-33(4)18(23(35)28(31)45)6-7-21-32(3)14-19(40)27(44)36(16-38,17-39)22(32)8-9-34(21,33)5/h6,19-29,37-45H,7-17H2,1-5H3/t19-,20-,21?,22?,23?,24-,25+,26-,27+,28+,29+,32-,33-,34-,35+/m1/s1 |
| InChI Key | FSLDBYNJYAUPDI-FIWXFAFXSA-N |
| Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(CO)CO)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranose, 1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23,24-pentahydroxy-28-oxoolean-12-en-28-yl]- |