| SpectraBase Compound ID | DWDnXVKkTml |
|---|---|
| InChI | InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(30)7-5-13-4-6-17(28)18(29)10-13)16(24(34)35-2)12-37-25(14)39-26-23(33)22(32)21(31)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-29,31-33H,1,8-9,11H2,2H3/b7-5+/t14-,15+,19+,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | VDDWXGQJLRBJBO-GEZZKXTISA-N |
| Mol Weight | 552.5 g/mol |
| Molecular Formula | C26H32O13 |
| Exact Mass | 552.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DYYV2WpJyO |
|---|---|
| Name | GRANDIFLOROSIDE-11-METHYLESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32O13 |
| InChI | InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(30)7-5-13-4-6-17(28)18(29)10-13)16(24(34)35-2)12-37-25(14)39-26-23(33)22(32)21(31)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-29,31-33H,1,8-9,11H2,2H3/b7-5+/t14-,15+,19+,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | VDDWXGQJLRBJBO-GEZZKXTISA-N |
| Literature Reference Author | A.ITOH,K.FUJII,S.TOMATSU,C.TAKAO,T.TANAHASHI,N.NAGAKURA,C.C. CHEN |
| Literature Reference Citation | J.NAT.PROD.,66,1212(2003) |
| Literature Reference DOI | 10.1021/np030217h |
| Molecular Weight | 552.532 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1002 |