| SpectraBase Compound ID | EnigMuhtaEX |
|---|---|
| InChI | InChI=1S/C47H74O17/c1-20-30(50)34(54)37(64-38-35(55)31(51)23(48)18-58-38)40(60-20)59-19-24-32(52)33(53)36(56)39(61-24)62-28-12-13-44(6)25(43(28,4)5)11-14-45(7)26(44)10-9-21-22-15-42(2,3)29-17-47(22,41(57)63-29)27(49)16-46(21,45)8/h9,20,22-40,48-56H,10-19H2,1-8H3/t20-,22+,23-,24-,25?,26?,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40-,44+,45-,46-,47-/m1/s1 |
| InChIKey | PWWQCRWKPLOXBO-SGKLZYCKSA-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 | 9dBcH0CEGdB |
|---|---|
| Name | JULIBrOSIDE-A2;ACACIC-ACID-LACTONE-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O17 |
| InChI | InChI=1S/C47H74O17/c1-20-30(50)34(54)37(64-38-35(55)31(51)23(48)18-58-38)40(60-20)59-19-24-32(52)33(53)36(56)39(61-24)62-28-12-13-44(6)25(43(28,4)5)11-14-45(7)26(44)10-9-21-22-15-42(2,3)29-17-47(22,41(57)63-29)27(49)16-46(21,45)8/h9,20,22-40,48-56H,10-19H2,1-8H3/t20-,22+,23-,24-,25?,26?,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40-,44+,45-,46-,47-/m1/s1 |
| InChIKey | PWWQCRWKPLOXBO-SGKLZYCKSA-N |
| Literature Reference Author | K.YOSHIKAWA,Y.SATOU,Y.TOKUNAGA,M.TANAKA,S.ARIHARA,S.K.NIGAM |
| Literature Reference Citation | J.NAT.PROD.,61,440(1998) |
| Literature Reference DOI | 10.1021/np970538r |
| Molecular Weight | 911.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCP969 |