| SpectraBase Compound ID | 7pgxHjTaneu |
|---|---|
| InChI | InChI=1S/C40H46O21/c1-20(41)53-17-30-34(49)36(56-22(3)43)37(57-23(4)44)39(58-30)61-40(19-55-21(2)42)38(59-33(48)14-10-25-8-12-27(46)29(16-25)52-6)35(50)31(60-40)18-54-32(47)13-9-24-7-11-26(45)28(15-24)51-5/h7-16,30-31,34-39,45-46,49-50H,17-19H2,1-6H3/b13-9+,14-10+/t30-,31-,34-,35-,36+,37-,38+,39-,40+/m1/s1 |
| InChIKey | KNAPBGBEJZSUJA-QVDICECUSA-N |
| Mol Weight | 862.8 g/mol |
| Molecular Formula | C40H46O21 |
| Exact Mass | 862.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VuC2frFC39 |
|---|---|
| Name | BETA-D-(1-O-ACETYL-3,6-O-DIFERULOYL)-FRUCOFURANOSYL-ALPHA-D-2',3',6'-O-TRIACETYLGLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O21 |
| InChI | InChI=1S/C40H46O21/c1-20(41)53-17-30-34(49)36(56-22(3)43)37(57-23(4)44)39(58-30)61-40(19-55-21(2)42)38(59-33(48)14-10-25-8-12-27(46)29(16-25)52-6)35(50)31(60-40)18-54-32(47)13-9-24-7-11-26(45)28(15-24)51-5/h7-16,30-31,34-39,45-46,49-50H,17-19H2,1-6H3/b13-9+,14-10+/t30-,31-,34-,35-,36+,37-,38+,39-,40+/m1/s1 |
| InChIKey | KNAPBGBEJZSUJA-QVDICECUSA-N |
| Literature Reference Author | O.SHIROTA,S.SEKITA,M.SATAKE,Y.NI,H.WEIYI |
| Literature Reference Citation | J.NAT.PROD.,59,242(1996) |
| Literature Reference DOI | 10.1021/np960160h |
| Molecular Weight | 862.793 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2303 |