![TRICORNOSE_D;3-O-[(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOPYRANOSIDE](/api/spectrum/CWq6csUwznG/structure.png?h=300&w=458 "TRICORNOSE_D;3-O-[(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8jpaklPQuEb |
|---|---|
| InChI | InChI=1S/C40H52O24/c1-54-19-9-17(10-20(55-2)28(19)46)5-7-26(44)58-15-25-31(49)34(52)36(62-38-35(53)33(51)30(48)23(13-41)59-38)39(60-25)64-40(16-43)37(32(50)24(14-42)63-40)61-27(45)8-6-18-11-21(56-3)29(47)22(12-18)57-4/h5-12,23-25,30-39,41-43,46-53H,13-16H2,1-4H3/b7-5+,8-6+/t23-,24+,25-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-/m1/s1 |
| InChIKey | RRGHLTAMGZOEOR-MWTVJRJGSA-N |
| Mol Weight | 916.8 g/mol |
| Molecular Formula | C40H52O24 |
| Exact Mass | 916.284853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWq6csUwznG |
|---|---|
| Name | TRICORNOSE_D;3-O-[(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52O24 |
| InChI | InChI=1S/C40H52O24/c1-54-19-9-17(10-20(55-2)28(19)46)5-7-26(44)58-15-25-31(49)34(52)36(62-38-35(53)33(51)30(48)23(13-41)59-38)39(60-25)64-40(16-43)37(32(50)24(14-42)63-40)61-27(45)8-6-18-11-21(56-3)29(47)22(12-18)57-4/h5-12,23-25,30-39,41-43,46-53H,13-16H2,1-4H3/b7-5+,8-6+/t23-,24+,25-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-/m1/s1 |
| InChIKey | RRGHLTAMGZOEOR-MWTVJRJGSA-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 | 916.838 g/mol |
| Solvent | CD3OD |