| SpectraBase Compound ID | 7k2O5gtIIEn |
|---|---|
| InChI | InChI=1S/C47H56O25/c1-20-36(69-34(56)14-12-29-11-13-31(62-23(4)50)32(17-29)57-10)39(64-25(6)52)41(66-27(8)54)45(61-20)70-37-30-15-16-58-44(35(30)47(43(37)72-47)19-60-22(3)49)71-46-42(67-28(9)55)40(65-26(7)53)38(63-24(5)51)33(68-46)18-59-21(2)48/h11-17,20,30,33,35-46H,18-19H2,1-10H3/b14-12+/t20-,30-,33+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | RLRVTJUPIFUBSY-QTJBABCBSA-N |
| Mol Weight | 1020.9 g/mol |
| Molecular Formula | C47H56O25 |
| Exact Mass | 1020.311067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MsLfjDkzbd |
|---|---|
| Name | 6-O-ALPHA-L-(4''-O-FERULOYL)-RHAMNOPYRANOSYL-CATALPOL-OCTAACETATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H56O25 |
| InChI | InChI=1S/C47H56O25/c1-20-36(69-34(56)14-12-29-11-13-31(62-23(4)50)32(17-29)57-10)39(64-25(6)52)41(66-27(8)54)45(61-20)70-37-30-15-16-58-44(35(30)47(43(37)72-47)19-60-22(3)49)71-46-42(67-28(9)55)40(65-26(7)53)38(63-24(5)51)33(68-46)18-59-21(2)48/h11-17,20,30,33,35-46H,18-19H2,1-10H3/b14-12+/t20-,30-,33+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | RLRVTJUPIFUBSY-QTJBABCBSA-N |
| Literature Reference Author | H.OTSUKA,N.KUBO,Y.SASAKI,K.YAMASAKI,Y.TAKEDA,T.SEKI |
| Literature Reference Citation | PHYTOCHEM.,30,1917(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85040-7 |
| Molecular Weight | 1020.947 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU28113 |