| SpectraBase Compound ID | 4BJAkM1MHOa |
|---|---|
| InChI | InChI=1S/C21H22O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15-18,21-26,28-30H,6H2/t11-,13-,15+,16-,17-,18+,21+/m0/s1 |
| InChIKey | OKZBQVBKBLCUKP-DBENBMSBSA-N |
| Mol Weight | 466.4 g/mol |
| Molecular Formula | C21H22O12 |
| Exact Mass | 466.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kw5OzdMuVOr |
|---|---|
| Name | CALLUNIN;DIHYDROHERBACETIN-8-GLUCOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O12 |
| InChI | InChI=1S/C21H22O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15-18,21-26,28-30H,6H2/t11-,13-,15+,16-,17-,18+,21+/m0/s1 |
| InChIKey | OKZBQVBKBLCUKP-DBENBMSBSA-N |
| Literature Reference Author | B.BENNINI,A.J.CHULIA,M.KAOUADJI,C.DELAGE |
| Literature Reference Citation | PHYTOCHEM.,33,1233(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85055-V |
| Molecular Weight | 466.398 g/mol |
| Solvent | DMSO-D6 |