| SpectraBase Compound ID | Alawo6QPPnD |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-21-30(50)34(54)37(64-38-35(55)31(51)24(48)19-59-38)40(61-21)60-20-25-32(52)33(53)36(56)39(62-25)63-29-12-13-44(6)26(43(29,4)5)11-14-46(8)27(44)10-9-22-23-17-42(2,3)28(49)18-47(23,41(57)58)16-15-45(22,46)7/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,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 | RKHBDXQNNWVTSN-UDNQNLGMSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pkt7oJOQLz |
|---|---|
| Name | MACHAERINIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-21-30(50)34(54)37(64-38-35(55)31(51)24(48)19-59-38)40(61-21)60-20-25-32(52)33(53)36(56)39(62-25)63-29-12-13-44(6)26(43(29,4)5)11-14-46(8)27(44)10-9-22-23-17-42(2,3)28(49)18-47(23,41(57)58)16-15-45(22,46)7/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,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 | RKHBDXQNNWVTSN-UDNQNLGMSA-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 | 913.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCP971 |