![TRICORNOSE_G;#15;3-O-[(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOP](/api/spectrum/8Yd1wnVp9zh/structure.png?h=300&w=458 "TRICORNOSE_G;#15;3-O-[(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOP")
| SpectraBase Compound ID | 9HTZsOJIygL |
|---|---|
| InChI | InChI=1S/C46H62O29/c1-63-20-9-18(10-21(64-2)30(20)53)5-7-28(51)67-16-27-33(56)36(59)41(73-44-39(62)37(60)40(26(15-49)69-44)72-43-38(61)35(58)32(55)24(13-47)68-43)45(70-27)75-46(17-50)42(34(57)25(14-48)74-46)71-29(52)8-6-19-11-22(65-3)31(54)23(12-19)66-4/h5-12,24-27,32-45,47-50,53-62H,13-17H2,1-4H3/b7-5+,8-6+/t24-,25-,26+,27+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42+,43+,44-,45+,46+/m0/s1 |
| InChIKey | NLPYQHJTJAXYDQ-IWKODQKYSA-N |
| Mol Weight | 1079.0 g/mol |
| Molecular Formula | C46H62O29 |
| Exact Mass | 1078.337676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Yd1wnVp9zh |
|---|---|
| Name | TRICORNOSE_G;#15;3-O-[(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E)-SINAPOYL]-ALPHA-D-GLUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H62O29 |
| InChI | InChI=1S/C46H62O29/c1-63-20-9-18(10-21(64-2)30(20)53)5-7-28(51)67-16-27-33(56)36(59)41(73-44-39(62)37(60)40(26(15-49)69-44)72-43-38(61)35(58)32(55)24(13-47)68-43)45(70-27)75-46(17-50)42(34(57)25(14-48)74-46)71-29(52)8-6-19-11-22(65-3)31(54)23(12-19)66-4/h5-12,24-27,32-45,47-50,53-62H,13-17H2,1-4H3/b7-5+,8-6+/t24-,25-,26+,27+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42+,43+,44-,45+,46+/m0/s1 |
| InChIKey | NLPYQHJTJAXYDQ-IWKODQKYSA-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 | 1078.981 g/mol |
| Solvent | CD3OD |