![TRICORNOSE_I;3-O-(E)-3,4,5-TRIMETHOXYCINNAMOYL-[4-O-(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)]-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOS](/api/spectrum/LJEtIJVpZ9Y/structure.png?h=300&w=458 "TRICORNOSE_I;3-O-(E)-3,4,5-TRIMETHOXYCINNAMOYL-[4-O-(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)]-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOS")
| SpectraBase Compound ID | 9rnKMlX7OBo |
|---|---|
| InChI | InChI=1S/C58H74O33/c1-75-28-14-25(15-29(76-2)41(28)66)8-11-38(63)82-23-37-44(69)46(71)53(89-56-49(74)47(72)51(35(21-60)84-56)88-55-48(73)45(70)43(68)34(20-59)83-55)57(85-37)91-58(24-62)54(87-40(65)13-10-27-18-32(79-5)50(81-7)33(19-27)80-6)52(36(22-61)90-58)86-39(64)12-9-26-16-30(77-3)42(67)31(17-26)78-4/h8-19,34-37,43-49,51-57,59-62,66-74H,20-24H2,1-7H3/b11-8+,12-9+,13-10+/t34-,35+,36-,37+,43-,44+,45+,46-,47+,48-,49+,51+,52-,53+,54+,55+,56-,57+,58+/m0/s1 |
| InChIKey | HATYMKPGOIMTRS-UJPZNBFLSA-N |
| Mol Weight | 1299.2 g/mol |
| Molecular Formula | C58H74O33 |
| Exact Mass | 1298.411235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJEtIJVpZ9Y |
|---|---|
| Name | TRICORNOSE_I;3-O-(E)-3,4,5-TRIMETHOXYCINNAMOYL-[4-O-(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)]-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOS |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H74O33 |
| InChI | InChI=1S/C58H74O33/c1-75-28-14-25(15-29(76-2)41(28)66)8-11-38(63)82-23-37-44(69)46(71)53(89-56-49(74)47(72)51(35(21-60)84-56)88-55-48(73)45(70)43(68)34(20-59)83-55)57(85-37)91-58(24-62)54(87-40(65)13-10-27-18-32(79-5)50(81-7)33(19-27)80-6)52(36(22-61)90-58)86-39(64)12-9-26-16-30(77-3)42(67)31(17-26)78-4/h8-19,34-37,43-49,51-57,59-62,66-74H,20-24H2,1-7H3/b11-8+,12-9+,13-10+/t34-,35+,36-,37+,43-,44+,45+,46-,47+,48-,49+,51+,52-,53+,54+,55+,56-,57+,58+/m0/s1 |
| InChIKey | HATYMKPGOIMTRS-UJPZNBFLSA-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 | 1299.206 g/mol |
| Solvent | CD3OD |