![COUMOSIDE-A;3-BETA-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-AL](/api/spectrum/K3NCfmsALpB/structure.png?h=300&w=458 "COUMOSIDE-A;3-BETA-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-AL")
| SpectraBase Compound ID | 6hHvnuzaac5 |
|---|---|
| InChI | InChI=1S/C58H92O27/c1-53(2)30-9-12-56(5)31(8-7-23-24-15-54(3)13-14-58(24,22-78-52(54)74)32(62)16-57(23,56)6)55(30,4)11-10-33(53)83-50-45(85-49-44(73)40(69)36(65)27(18-60)80-49)38(67)29(21-77-50)82-51-46(84-48-42(71)34(63)25(61)19-75-48)41(70)37(66)28(81-51)20-76-47-43(72)39(68)35(64)26(17-59)79-47/h7,24-51,59-73H,8-22H2,1-6H3/t24-,25-,26+,27+,28+,29-,30-,31+,32+,33?,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,54-,55-,56+,57+,58+/m0/s1 |
| InChIKey | MMQDKDDIGRODID-ZBDCPCLGSA-N |
| Mol Weight | 1221.3 g/mol |
| Molecular Formula | C58H92O27 |
| Exact Mass | 1220.582598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3NCfmsALpB |
|---|---|
| Name | COUMOSIDE-A;3-BETA-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-AL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O27 |
| InChI | InChI=1S/C58H92O27/c1-53(2)30-9-12-56(5)31(8-7-23-24-15-54(3)13-14-58(24,22-78-52(54)74)32(62)16-57(23,56)6)55(30,4)11-10-33(53)83-50-45(85-49-44(73)40(69)36(65)27(18-60)80-49)38(67)29(21-77-50)82-51-46(84-48-42(71)34(63)25(61)19-75-48)41(70)37(66)28(81-51)20-76-47-43(72)39(68)35(64)26(17-59)79-47/h7,24-51,59-73H,8-22H2,1-6H3/t24-,25-,26+,27+,28+,29-,30-,31+,32+,33?,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,54-,55-,56+,57+,58+/m0/s1 |
| InChIKey | MMQDKDDIGRODID-ZBDCPCLGSA-N |
| Literature Reference Author | N.YAYLI,C.BALTACI,A.ZENGIN,M.KUCUKISLAMOGLU,H.GENC |
| Literature Reference Citation | PHYTOCHEM.,48,881(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00978-3 |
| Molecular Weight | 1221.352 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS1263 |