3,4-Bis-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl 3,4-bis-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-2-butenoyl]hexopyranoside
3,4-Bis-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl 3,4-bis-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-2-butenoyl]hexopyranoside Structure
Systematic / IUPAC Name: [6-[3,4-Dihydroxy-5-[3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-3-[3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
ID: Reference8121
Other Names: Hexopyranoside, O--3,4-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]hexopyranosyl O--3,4-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-
Formula: C54H78O27
Spectral Data
3,4-Bis-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl 3,4-bis-O-[(2E)-2-methyl-2-butenoyl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-2-butenoyl]hexopyranoside 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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/31/2018 1:05:06 PM |
Identificators
| InChI | InChI=1S/C54H78O27/c1-13-23(7)45(63)69-21-31-39(79-53-37(61)43(77-49(67)27(11)17-5)41(29(19-55)71-53)75-47(65)25(9)15-3)33(57)35(59)51(73-31)81-52-36(60)34(58)40(32(74-52)22-70-46(64)24(8)14-2)80-54-38(62)44(78-50(68)28(12)18-6)42(30(20-56)72-54)76-48(66)26(10)16-4/h13-18,29-44,51-62H,19-22H2,1-12H3/b23-13+,24-14+,25-15+,26-16+,27-17+,28-18+ |
| InChI Key | POASCAFEUZQXNU-MACSXGQBSA-N |
| Canonical SMILES | CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(=CC)C)OC3C(C(C(C(O3)CO)OC(=O)C(=CC)C)OC(=O)C(=CC)C)O)O)O)O)O)OC4C(C(C(C(O4)CO)OC(=O)C(=CC)C)OC(=O)C(=CC)C)O |
| CAS | |
| Splash | |
| Other Names | Hexopyranoside, O--3,4-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]hexopyranosyl O--3,4-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]hexopyranosyl-(1->4)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]- |