![#9;2-(4-BENZYLOXY-3-HYDROXYPHENYL)-5-HYDROXY-7-METHOXY-3-[[2-O-(TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OXY]-4H-1-BENZOPYRAN](/api/spectrum/5Hy3quZHZaI/structure.png?h=300&w=458 "#9;2-(4-BENZYLOXY-3-HYDROXYPHENYL)-5-HYDROXY-7-METHOXY-3-[[2-O-(TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OXY]-4H-1-BENZOPYRAN")
| SpectraBase Compound ID | LD1O9RwWumT |
|---|---|
| InChI | InChI=1S/C47H50O22/c1-21-38(61-23(3)49)42(63-25(5)51)44(65-27(7)53)46(60-21)69-45-43(64-26(6)52)40(62-24(4)50)35(20-58-22(2)48)67-47(45)68-41-37(56)36-32(55)17-30(57-8)18-34(36)66-39(41)29-14-15-33(31(54)16-29)59-19-28-12-10-9-11-13-28/h9-18,21,35,38,40,42-47,54-55H,19-20H2,1-8H3/t21-,35+,38-,40+,42+,43-,44+,45+,46-,47-/m1/s1 |
| InChIKey | RAFCKAYTQZMUSI-KRVVBXCWSA-N |
| Mol Weight | 966.9 g/mol |
| Molecular Formula | C47H50O22 |
| Exact Mass | 966.279373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Hy3quZHZaI |
|---|---|
| Name | #9;2-(4-BENZYLOXY-3-HYDROXYPHENYL)-5-HYDROXY-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 | C47H50O22 |
| InChI | InChI=1S/C47H50O22/c1-21-38(61-23(3)49)42(63-25(5)51)44(65-27(7)53)46(60-21)69-45-43(64-26(6)52)40(62-24(4)50)35(20-58-22(2)48)67-47(45)68-41-37(56)36-32(55)17-30(57-8)18-34(36)66-39(41)29-14-15-33(31(54)16-29)59-19-28-12-10-9-11-13-28/h9-18,21,35,38,40,42-47,54-55H,19-20H2,1-8H3/t21-,35+,38-,40+,42+,43-,44+,45+,46-,47-/m1/s1 |
| InChIKey | RAFCKAYTQZMUSI-KRVVBXCWSA-N |
| Literature Reference Author | N.M.PAULI,U.SEQUIN |
| Literature Reference Citation | MOLECULES,1,15(1996) |
| Literature Reference DOI | 10.1007/s007830050003 |
| Molecular Weight | 966.901 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3976 |