![#12;5-ACETYLOXY-2-(4-ACETYLOXYPHENYL)-7-METHOXY-3-[[2-O-(TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OXY]-4H-1-BENZOPYRAN](/api/spectrum/7eyPqgxgWzo/structure.png?h=300&w=458 "#12;5-ACETYLOXY-2-(4-ACETYLOXYPHENYL)-7-METHOXY-3-[[2-O-(TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OXY]-4H-1-BENZOPYRAN")
| SpectraBase Compound ID | 4jOU9sg2Vvg |
|---|---|
| InChI | InChI=1S/C44H48O23/c1-18-35(59-22(5)48)39(61-24(7)50)41(63-26(9)52)43(56-18)67-42-40(62-25(8)51)37(60-23(6)49)32(17-55-19(2)45)65-44(42)66-38-34(53)33-30(58-21(4)47)15-29(54-10)16-31(33)64-36(38)27-11-13-28(14-12-27)57-20(3)46/h11-16,18,32,35,37,39-44H,17H2,1-10H3/t18-,32+,35-,37+,39+,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | QDZRUHCGEVYBFD-XJUMCGKTSA-N |
| Mol Weight | 944.8 g/mol |
| Molecular Formula | C44H48O23 |
| Exact Mass | 944.258638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eyPqgxgWzo |
|---|---|
| Name | #12;5-ACETYLOXY-2-(4-ACETYLOXYPHENYL)-7-METHOXY-3-[[2-O-(TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OXY]-4H-1-BENZOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H48O23 |
| InChI | InChI=1S/C44H48O23/c1-18-35(59-22(5)48)39(61-24(7)50)41(63-26(9)52)43(56-18)67-42-40(62-25(8)51)37(60-23(6)49)32(17-55-19(2)45)65-44(42)66-38-34(53)33-30(58-21(4)47)15-29(54-10)16-31(33)64-36(38)27-11-13-28(14-12-27)57-20(3)46/h11-16,18,32,35,37,39-44H,17H2,1-10H3/t18-,32+,35-,37+,39+,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | QDZRUHCGEVYBFD-XJUMCGKTSA-N |
| Literature Reference Author | N.M.PAULI,U.SEQUIN |
| Literature Reference Citation | MOLECULES,1,15(1996) |
| Literature Reference DOI | 10.1007/s007830050003 |
| Molecular Weight | 944.851 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3979 |