![#1;MASONOSIDE-A;3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-O-[2-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPY](/api/spectrum/CQiQGscvf8I/structure.png?h=300&w=458 "#1;MASONOSIDE-A;3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-O-[2-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPY")
| SpectraBase Compound ID | 1Qk2o4ALdab |
|---|---|
| InChI | InChI=1S/C85H140O40/c1-38-64(121-72-60(103)55(98)48(34-113-72)119-77-68(107)84(110,36-89)37-114-77)58(101)63(106)73(115-38)123-67-66(122-74-61(104)56(99)53(96)46(31-87)117-74)65(120-70(108)43(91)20-16-12-11-15-19-40(90)18-14-10-9-13-17-27-86)39(2)116-76(67)125-78(109)85-26-25-79(3,4)28-42(85)41-21-22-50-80(5)29-44(92)69(81(6,35-88)49(80)23-24-82(50,7)83(41,8)30-51(85)94)124-75-62(105)57(100)54(97)47(118-75)33-112-71-59(102)52(95)45(93)32-111-71/h21,38-39,42-69,71-77,86-89,91-107,110H,9-20,22-37H2,1-8H3 |
| InChIKey | NNJKQUGDVSCHSW-UHFFFAOYSA-N |
| Mol Weight | 1802.0 g/mol |
| Molecular Formula | C85H140O40 |
| Exact Mass | 1800.892089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQiQGscvf8I |
|---|---|
| Name | #1;MASONOSIDE-A;3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-O-[2-O-[BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPY |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H140O40 |
| InChI | InChI=1S/C85H140O40/c1-38-64(121-72-60(103)55(98)48(34-113-72)119-77-68(107)84(110,36-89)37-114-77)58(101)63(106)73(115-38)123-67-66(122-74-61(104)56(99)53(96)46(31-87)117-74)65(120-70(108)43(91)20-16-12-11-15-19-40(90)18-14-10-9-13-17-27-86)39(2)116-76(67)125-78(109)85-26-25-79(3,4)28-42(85)41-21-22-50-80(5)29-44(92)69(81(6,35-88)49(80)23-24-82(50,7)83(41,8)30-51(85)94)124-75-62(105)57(100)54(97)47(118-75)33-112-71-59(102)52(95)45(93)32-111-71/h21,38-39,42-69,71-77,86-89,91-107,110H,9-20,22-37H2,1-8H3 |
| InChIKey | NNJKQUGDVSCHSW-UHFFFAOYSA-N |
| Literature Reference Author | Y.ASADA,M.IKENO,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,35,757(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90600-9 |
| Molecular Weight | 1802.023 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25124 |