6-O-Hexopyranosyl-1-O-[19-hydroxy-28-oxo-3-(pentopyranosyloxy)olean-12-en-28-yl]hexopyranose
7993
Reference
6-O-Hexopyranosyl-1-O-[19-hydroxy-28-oxo-3-(pentopyranosyloxy)olean-12-en-28-yl]hexopyranose Structure
Systematic / IUPAC Name: (3,4,5-Trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl}oxan-2-yl) 1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
ID: Reference7993
Other Names: Hexopyranose, 6-O-hexopyranosyl-1-O-[19-hydroxy-28-oxo-3-(pentopyranosyloxy)olean-12-en-28-yl]-
Formula: C47H76O18
Spectral Data
6-O-Hexopyranosyl-1-O-[19-hydroxy-28-oxo-3-(pentopyranosyloxy)olean-12-en-28-yl]hexopyranose 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 | 3 |
| No. of Spectra | 2812 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/22/2018 12:49:03 PM |
Identificators
| InChI | InChI=1S/C47H76O18/c1-42(2)14-16-47(41(59)65-40-36(57)33(54)31(52)24(63-40)20-61-38-35(56)32(53)30(51)23(18-48)62-38)17-15-45(6)21(28(47)37(42)58)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)64-39-34(55)29(50)22(49)19-60-39/h8,22-40,48-58H,9-20H2,1-7H3 |
| InChI Key | YLGANLNQTUGMCH-UHFFFAOYSA-N |
| Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1O)C)C(=O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C |
| CAS | |
| Splash | |
| Other Names | Hexopyranose, 6-O-hexopyranosyl-1-O-[19-hydroxy-28-oxo-3-(pentopyranosyloxy)olean-12-en-28-yl]- |