6-O-β-D-Glucopyranosyl-1-O-[(3β,5ξ,9ξ)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-β-D-glucopyranose
6-O-β-D-Glucopyranosyl-1-O-[(3β,5ξ,9ξ)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-β-D-glucopyranose Structure
Systematic / IUPAC Name: (3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-Dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
ID: Reference8143
Other Names: β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-[(3β,5ξ,9ξ)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-
Formula: C42H66O16
Spectral Data
6-O-β-D-Glucopyranosyl-1-O-[(3β,5ξ,9ξ)-3,19,24-trihydroxy-24,28-dioxours-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 | 310 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/22/2022 7:34:52 AM |
Identificators
| InChI | InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1 |
| InChI Key | LCQFYEBJTAIMPC-PVSIORMYSA-N |
| Canonical SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-[(3β,5ξ,9ξ)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]- |