![TRICORNOSE_K;3-O-(E)-SINAPOYL-[4-O-(E)-FERULOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E](/api/spectrum/8rundK3D0iT/structure.png?h=300&w=458 "TRICORNOSE_K;3-O-(E)-SINAPOYL-[4-O-(E)-FERULOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E")
| SpectraBase Compound ID | 3vF959QQ1NR |
|---|---|
| InChI | InChI=1S/C56H70O32/c1-74-28-14-24(6-10-27(28)61)7-12-38(63)83-50-35(21-59)87-56(23-60,52(50)84-39(64)13-9-26-17-31(77-4)41(66)32(18-26)78-5)88-55-51(45(70)43(68)36(82-55)22-79-37(62)11-8-25-15-29(75-2)40(65)30(16-25)76-3)86-54-48(73)46(71)49(34(20-58)81-54)85-53-47(72)44(69)42(67)33(19-57)80-53/h6-18,33-36,42-55,57-61,65-73H,19-23H2,1-5H3/b11-8+,12-7+,13-9+/t33-,34+,35-,36+,42-,43+,44+,45-,46+,47-,48+,49+,50-,51+,52+,53+,54-,55+,56+/m0/s1 |
| InChIKey | YDXUZDVRVGYRJD-UCDZSNBXSA-N |
| Mol Weight | 1255.1 g/mol |
| Molecular Formula | C56H70O32 |
| Exact Mass | 1254.38502 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rundK3D0iT |
|---|---|
| Name | TRICORNOSE_K;3-O-(E)-SINAPOYL-[4-O-(E)-FERULOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H70O32 |
| InChI | InChI=1S/C56H70O32/c1-74-28-14-24(6-10-27(28)61)7-12-38(63)83-50-35(21-59)87-56(23-60,52(50)84-39(64)13-9-26-17-31(77-4)41(66)32(18-26)78-5)88-55-51(45(70)43(68)36(82-55)22-79-37(62)11-8-25-15-29(75-2)40(65)30(16-25)76-3)86-54-48(73)46(71)49(34(20-58)81-54)85-53-47(72)44(69)42(67)33(19-57)80-53/h6-18,33-36,42-55,57-61,65-73H,19-23H2,1-5H3/b11-8+,12-7+,13-9+/t33-,34+,35-,36+,42-,43+,44+,45-,46+,47-,48+,49+,50-,51+,52+,53+,54-,55+,56+/m0/s1 |
| InChIKey | YDXUZDVRVGYRJD-UCDZSNBXSA-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 | 1255.153 g/mol |
| Solvent | CD3OD |