1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
8209
Reference
1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23-Tetrahydroxy-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,9R,10R,11R,12aR)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
ID: Reference8209
Other Names: β-D-Glucopyranose, 1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-
Formula: C36H58O11
Spectral Data
1-O-[(2α,3β,5ξ,9ξ,18ξ,19α)-2,3,19,23-Tetrahydroxy-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 | 2 |
| No. of Spectra | 2053 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/24/2018 7:04:38 AM |
Identificators
| InChI | InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21?,22?,23?,24-,25+,26-,27+,28+,29+,32+,33+,34-,35-,36+/m1/s1 |
| InChI Key | CMZFNIMQBCBHEX-KXLFRROQSA-N |
| Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)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-tetrahydroxy-28-oxoolean-12-en-28-yl]- |