| SpectraBase Compound ID | 4d6VJ1LASUT |
|---|---|
| InChI | InChI=1S/C42H46O21/c1-16-11-26-31(28(12-16)55-19(4)44)34(51)32-27(33(26)50)13-25(52-10)14-29(32)61-42-40(38(59-23(8)48)36(57-21(6)46)30(62-42)15-53-18(3)43)63-41-39(60-24(9)49)37(58-22(7)47)35(17(2)54-41)56-20(5)45/h11-14,17,30,35-42H,15H2,1-10H3/t17-,30+,35-,36+,37+,38-,39+,40+,41-,42+/m0/s1 |
| InChIKey | KLOCUHOBIVYZCB-FMTPJZGYSA-N |
| Mol Weight | 886.8 g/mol |
| Molecular Formula | C42H46O21 |
| Exact Mass | 886.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pyJ1fnVPNc |
|---|---|
| Name | 1,8-DIHYDROXY-6-METHOXY-3-METHYL-ANTHRAQUINONE-8-O-RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE-PERACETYLATED |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O21 |
| InChI | InChI=1S/C42H46O21/c1-16-11-26-31(28(12-16)55-19(4)44)34(51)32-27(33(26)50)13-25(52-10)14-29(32)61-42-40(38(59-23(8)48)36(57-21(6)46)30(62-42)15-53-18(3)43)63-41-39(60-24(9)49)37(58-22(7)47)35(17(2)54-41)56-20(5)45/h11-14,17,30,35-42H,15H2,1-10H3/t17-,30+,35-,36+,37+,38-,39+,40+,41-,42+/m0/s1 |
| InChIKey | KLOCUHOBIVYZCB-FMTPJZGYSA-N |
| Literature Reference Author | C.M.LIN,M.I.CHUNG,K.H.GAN,C.M.LU |
| Literature Reference Citation | PHYTOCHEM.,30,3103(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)98262-1 |
| Molecular Weight | 886.815 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN31038 |