![GLOMERATOSE-F;1-O-(E)-PARA-COUMAROYL-(3-O-BENZOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-ACETYL-BETA-D-GLUCOPYR](/api/spectrum/K0jGo9nD7V/structure.png?h=300&w=458 "GLOMERATOSE-F;1-O-(E)-PARA-COUMAROYL-(3-O-BENZOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-ACETYL-BETA-D-GLUCOPYR")
| SpectraBase Compound ID | 9tlWygrWJTd |
|---|---|
| InChI | InChI=1S/C54H64O29/c1-25(57)72-22-35-40(64)43(67)45(69)52(76-35)79-47-46(78-38(62)18-13-28-11-16-31(60)32(19-28)71-3)36(23-73-26(2)58)77-53(48(47)80-51-44(68)42(66)39(63)33(20-55)75-51)83-54(24-74-37(61)17-12-27-9-14-30(59)15-10-27)49(41(65)34(21-56)82-54)81-50(70)29-7-5-4-6-8-29/h4-19,33-36,39-49,51-53,55-56,59-60,63-69H,20-24H2,1-3H3/b17-12+,18-13+/t33-,34+,35-,36-,39-,40-,41+,42+,43+,44-,45-,46-,47+,48-,49-,51+,52+,53-,54-/m1/s1 |
| InChIKey | XGJBMNCSTDSGAG-ILXWNEMYSA-N |
| Mol Weight | 1177.1 g/mol |
| Molecular Formula | C54H64O29 |
| Exact Mass | 1176.353326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0jGo9nD7V |
|---|---|
| Name | GLOMERATOSE-F;1-O-(E)-PARA-COUMAROYL-(3-O-BENZOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-ACETYL-BETA-D-GLUCOPYR |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H64O29 |
| InChI | InChI=1S/C54H64O29/c1-25(57)72-22-35-40(64)43(67)45(69)52(76-35)79-47-46(78-38(62)18-13-28-11-16-31(60)32(19-28)71-3)36(23-73-26(2)58)77-53(48(47)80-51-44(68)42(66)39(63)33(20-55)75-51)83-54(24-74-37(61)17-12-27-9-14-30(59)15-10-27)49(41(65)34(21-56)82-54)81-50(70)29-7-5-4-6-8-29/h4-19,33-36,39-49,51-53,55-56,59-60,63-69H,20-24H2,1-3H3/b17-12+,18-13+/t33-,34+,35-,36-,39-,40-,41+,42+,43+,44-,45-,46-,47+,48-,49-,51+,52+,53-,54-/m1/s1 |
| InChIKey | XGJBMNCSTDSGAG-ILXWNEMYSA-N |
| Literature Reference Author | D.ZHANG,T.MIYASE,M.KUROYANAGI,K.UMEHARA,H.NOGUCHI |
| Literature Reference Citation | PHYTOCHEM.,47,45(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00490-1 |
| Molecular Weight | 1177.085 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4819 |