![3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[O-ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYLOXY]-MACHAERINIC-ACID-GAMMA-LACTONE](/api/spectrum/8kiubDZ6oMO/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[O-ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYLOXY]-MACHAERINIC-ACID-GAMMA-LACTONE")
| SpectraBase Compound ID | 4sEExjrOMKY |
|---|---|
| InChI | InChI=1S/C47H74O17/c1-42(2)16-22-21-8-9-27-44(5)12-11-28(43(3,4)26(44)10-13-46(27,7)45(21,6)14-15-47(22)17-29(42)63-41(47)57)62-40-37(64-39-36(56)33(53)31(51)24(18-48)60-39)34(54)32(52)25(61-40)20-59-38-35(55)30(50)23(49)19-58-38/h8,22-40,48-56H,9-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1 |
| InChIKey | CMQUDKMXEKUQCJ-UIDKYJHUSA-N |
| Mol Weight | 911.1 g/mol |
| Molecular Formula | C47H74O17 |
| Exact Mass | 910.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kiubDZ6oMO |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[O-ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYLOXY]-MACHAERINIC-ACID-GAMMA-LACTONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O17 |
| InChI | InChI=1S/C47H74O17/c1-42(2)16-22-21-8-9-27-44(5)12-11-28(43(3,4)26(44)10-13-46(27,7)45(21,6)14-15-47(22)17-29(42)63-41(47)57)62-40-37(64-39-36(56)33(53)31(51)24(18-48)60-39)34(54)32(52)25(61-40)20-59-38-35(55)30(50)23(49)19-58-38/h8,22-40,48-56H,9-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1 |
| InChIKey | CMQUDKMXEKUQCJ-UIDKYJHUSA-N |
| Literature Reference Author | A.DEBELLA,E.HASLINGER,M.G.SCHMID,F.BUCAR,G.MICHL,D.ABEBE,O.K UNERT |
| Literature Reference Citation | PHYTOCHEM.,53,885(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00464-1 |
| Molecular Weight | 911.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2206 |