![GLOMERATOSE-G;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/7UFrQ6oq2Lw/structure.png?h=300&w=458 "GLOMERATOSE-G;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 | 6TKTppKX9eq |
|---|---|
| InChI | InChI=1S/C67H78O35/c1-31(71)89-28-43-50(79)54(83)57(86)65(95-43)98-59-58(97-47(76)23-15-34-12-20-38(39(24-34)88-2)92-63-55(84)52(81)48(77)40(25-68)93-63)44(29-90-45(74)21-13-32-8-16-36(72)17-9-32)96-66(60(59)99-64-56(85)53(82)49(78)41(26-69)94-64)102-67(30-91-46(75)22-14-33-10-18-37(73)19-11-33)61(51(80)42(27-70)101-67)100-62(87)35-6-4-3-5-7-35/h3-24,40-44,48-61,63-66,68-70,72-73,77-86H,25-30H2,1-2H3/b21-13+,22-14+,23-15+/t40-,41-,42+,43-,44-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57-,58-,59+,60-,61-,63-,64+,65+,66-,67-/m1/s1 |
| InChIKey | YQPXAOVMGGKAPD-AALUGFHRSA-N |
| Mol Weight | 1443.3 g/mol |
| Molecular Formula | C67H78O35 |
| Exact Mass | 1442.432364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UFrQ6oq2Lw |
|---|---|
| Name | GLOMERATOSE-G;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 | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H78O35 |
| InChI | InChI=1S/C67H78O35/c1-31(71)89-28-43-50(79)54(83)57(86)65(95-43)98-59-58(97-47(76)23-15-34-12-20-38(39(24-34)88-2)92-63-55(84)52(81)48(77)40(25-68)93-63)44(29-90-45(74)21-13-32-8-16-36(72)17-9-32)96-66(60(59)99-64-56(85)53(82)49(78)41(26-69)94-64)102-67(30-91-46(75)22-14-33-10-18-37(73)19-11-33)61(51(80)42(27-70)101-67)100-62(87)35-6-4-3-5-7-35/h3-24,40-44,48-61,63-66,68-70,72-73,77-86H,25-30H2,1-2H3/b21-13+,22-14+,23-15+/t40-,41-,42+,43-,44-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57-,58-,59+,60-,61-,63-,64+,65+,66-,67-/m1/s1 |
| InChIKey | YQPXAOVMGGKAPD-AALUGFHRSA-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 | 1443.335 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4820 |