(2E,6E,10E)-12-{[6-Deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->3)hexopyranosyl]oxy}-2,6,10-trimethyl-2,6,10-dodecatrien-1-yl 6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->3)hexopyranoside
(2E,6E,10E)-12-{[6-Deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->3)hexopyranosyl]oxy}-2,6,10-trimethyl-2,6,10-dodecatrien-1-yl 6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->3)hexopyranoside Structure
Systematic / IUPAC Name: 2-[6-[2-[(2E,6E,10E)-12-[4-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
ID: Reference8117
Other Names: Hexopyranoside, (2E,6E,10E)-12-[[O--6-deoxyhexopyranosyl-(1->4)-O--6-deoxyhexopyranosyl-(1->3)hexopyranosyl]oxy]-2,6,10-trimethyl-2,6,10-dodecatrien-1-yl O--6-deoxyhexopyranosyl-(1->4)-O--6-deoxyhexopyranosyl-(1->3)-
Formula: C51H86O28
Spectral Data
(2E,6E,10E)-12-{[6-Deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->3)hexopyranosyl]oxy}-2,6,10-trimethyl-2,6,10-dodecatrien-1-yl 6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->3)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 | 3 |
| No. of Spectra | 2977 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/30/2018 11:29:13 AM |
Identificators
| InChI | InChI=1S/C51H86O28/c1-19(11-9-13-21(3)18-69-47-41(67)45(31(57)27(17-53)75-47)79-51-39(65)35(61)43(25(7)73-51)77-49-37(63)33(59)29(55)23(5)71-49)10-8-12-20(2)14-15-68-46-40(66)44(30(56)26(16-52)74-46)78-50-38(64)34(60)42(24(6)72-50)76-48-36(62)32(58)28(54)22(4)70-48/h10,13-14,22-67H,8-9,11-12,15-18H2,1-7H3/b19-10+,20-14+,21-13+ |
| InChI Key | PAUOGYOKNANFIB-IRXKVGRSSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3O)OCC=C(C)CCC=C(C)CCC=C(C)COC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)C)O)O)O)O)O)O)CO)O)C)O)O)O |
| CAS | |
| Splash | |
| Other Names | Hexopyranoside, (2E,6E,10E)-12-[[O--6-deoxyhexopyranosyl-(1->4)-O--6-deoxyhexopyranosyl-(1->3)hexopyranosyl]oxy]-2,6,10-trimethyl-2,6,10-dodecatrien-1-yl O--6-deoxyhexopyranosyl-(1->4)-O--6-deoxyhexopyranosyl-(1->3)- |