| SpectraBase Compound ID | CM8DvDrKZtB |
|---|---|
| InChI | InChI=1S/C46H52O24/c1-19-36(60-22(4)49)33(35(57)30-15-13-12-14-16-30)40(63-25(7)52)34(41-44(66-28(10)55)42(64-26(8)53)38(61-23(5)50)31(68-41)17-58-20(2)47)37(19)70-46-45(67-29(11)56)43(65-27(9)54)39(62-24(6)51)32(69-46)18-59-21(3)48/h12-16,31-32,38-39,41-46H,17-18H2,1-11H3/t31-,32-,38-,39-,41?,42+,43+,44+,45-,46+/m1/s1 |
| InChIKey | HNDNHPSSGZMZCA-PWEMCVDUSA-N |
| Mol Weight | 988.9 g/mol |
| Molecular Formula | C46H52O24 |
| Exact Mass | 988.284853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJ2d1voChUk |
|---|---|
| Name | 4-BENZOYL-2-C-BETA-GLUCOPYRANOSYL-3,5-DIHYDROXY-6-METHYLPHENYL_BETA-D-GLUCOPYRANOSIDE_PERACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H52O24 |
| InChI | InChI=1S/C46H52O24/c1-19-36(60-22(4)49)33(35(57)30-15-13-12-14-16-30)40(63-25(7)52)34(41-44(66-28(10)55)42(64-26(8)53)38(61-23(5)50)31(68-41)17-58-20(2)47)37(19)70-46-45(67-29(11)56)43(65-27(9)54)39(62-24(6)51)32(69-46)18-59-21(3)48/h12-16,31-32,38-39,41-46H,17-18H2,1-11H3/t31-,32-,38-,39-,41?,42+,43+,44+,45-,46+/m1/s1 |
| InChIKey | HNDNHPSSGZMZCA-PWEMCVDUSA-N |
| Literature Reference Author | T.LEE,G.WANG,C.LEE,Y.KUO,C.CHOU |
| Literature Reference Citation | PLANTA.MED.,68,492(2002) |
| Literature Reference DOI | 10.1055/s-2002-32563 |
| Molecular Weight | 988.904 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1752 |