![TRICORNOSE_C;#11;3-O-[(E)-3,4,5-TRIMETHOXYCINNMAOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOPYRANOSIDE](/api/spectrum/Gy3ziz2Hh39/structure.png?h=300&w=458 "TRICORNOSE_C;#11;3-O-[(E)-3,4,5-TRIMETHOXYCINNMAOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | DZ9xuKrSAC9 |
|---|---|
| InChI | InChI=1S/C41H54O24/c1-54-20-10-18(11-21(55-2)29(20)47)6-8-27(45)59-16-26-31(49)34(52)37(63-39-35(53)33(51)30(48)24(14-42)60-39)40(61-26)65-41(17-44)38(32(50)25(15-43)64-41)62-28(46)9-7-19-12-22(56-3)36(58-5)23(13-19)57-4/h6-13,24-26,30-35,37-40,42-44,47-53H,14-17H2,1-5H3/b8-6+,9-7+/t24-,25+,26-,30-,31-,32+,33+,34+,35-,37-,38-,39+,40-,41-/m1/s1 |
| InChIKey | IBKGQOUOYNWRAL-UIJBEVLJSA-N |
| Mol Weight | 930.9 g/mol |
| Molecular Formula | C41H54O24 |
| Exact Mass | 930.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gy3ziz2Hh39 |
|---|---|
| Name | TRICORNOSE_C;#11;3-O-[(E)-3,4,5-TRIMETHOXYCINNMAOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54O24 |
| InChI | InChI=1S/C41H54O24/c1-54-20-10-18(11-21(55-2)29(20)47)6-8-27(45)59-16-26-31(49)34(52)37(63-39-35(53)33(51)30(48)24(14-42)60-39)40(61-26)65-41(17-44)38(32(50)25(15-43)64-41)62-28(46)9-7-19-12-22(56-3)36(58-5)23(13-19)57-4/h6-13,24-26,30-35,37-40,42-44,47-53H,14-17H2,1-5H3/b8-6+,9-7+/t24-,25+,26-,30-,31-,32+,33+,34+,35-,37-,38-,39+,40-,41-/m1/s1 |
| InChIKey | IBKGQOUOYNWRAL-UIJBEVLJSA-N |
| Literature Reference Author | J.LI,Y.JIANG,P.F.TU |
| Literature Reference Citation | J.NAT.PROD.,68,739(2005) |
| Literature Reference DOI | 10.1021/np050023x |
| Molecular Weight | 930.865 g/mol |
| Solvent | CD3OD |