![PHLORETIN-4'-O-[3''-O-GALLOYL-4'',6''-O-(S)-HEXAHYDROXYDIPHENOYL]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/8VfeDPGIYMI/structure.png?h=300&w=458 "PHLORETIN-4'-O-[3''-O-GALLOYL-4'',6''-O-(S)-HEXAHYDROXYDIPHENOYL]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8EremK1syUF |
|---|---|
| InChI | InChI=1S/C42H34O22/c43-16-4-1-14(2-5-16)3-6-20(44)30-21(45)9-17(10-22(30)46)61-42-36(56)38(64-39(57)15-7-23(47)31(51)24(48)8-15)37-27(62-42)13-60-40(58)18-11-25(49)32(52)34(54)28(18)29-19(41(59)63-37)12-26(50)33(53)35(29)55/h1-2,4-5,7-12,27,36-38,42-43,45-56H,3,6,13H2/t27-,36-,37-,38-,42-/m1/s1 |
| InChIKey | PLESAOGBVATPML-VHBRHXFYSA-N |
| Mol Weight | 890.7 g/mol |
| Molecular Formula | C42H34O22 |
| Exact Mass | 890.154173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8VfeDPGIYMI |
|---|---|
| Name | PHLORETIN-4'-O-[3''-O-GALLOYL-4'',6''-O-(S)-HEXAHYDROXYDIPHENOYL]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H34O22 |
| InChI | InChI=1S/C42H34O22/c43-16-4-1-14(2-5-16)3-6-20(44)30-21(45)9-17(10-22(30)46)61-42-36(56)38(64-39(57)15-7-23(47)31(51)24(48)8-15)37-27(62-42)13-60-40(58)18-11-25(49)32(52)34(54)28(18)29-19(41(59)63-37)12-26(50)33(53)35(29)55/h1-2,4-5,7-12,27,36-38,42-43,45-56H,3,6,13H2/t27-,36-,37-,38-,42-/m1/s1 |
| InChIKey | PLESAOGBVATPML-VHBRHXFYSA-N |
| Literature Reference Author | T.TANAKA,R.UEHARA,K.NISHIDA,I.KOUNO |
| Literature Reference Citation | PHYTOCHEM.,66,675(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.10.018 |
| Molecular Weight | 890.719 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU32521 |