| SpectraBase Compound ID | KCnyquZ50L1 |
|---|---|
| InChI | InChI=1S/C29H42O15/c1-6-14-16(9-20(31)41-11-17(25(35)38-3)15-8-7-13(2)21(15)27(37)40-5)18(26(36)39-4)12-42-28(14)44-29-24(34)23(33)22(32)19(10-30)43-29/h6,12-13,15-17,19,21-24,28-30,32-34H,7-11H2,1-5H3/b14-6+/t13-,15+,16+,17+,19+,21-,22+,23-,24+,28+,29-/m1/s1 |
| InChIKey | UIIHMJKGOSOZFZ-FLRQVZLASA-N |
| Mol Weight | 630.6 g/mol |
| Molecular Formula | C29H42O15 |
| Exact Mass | 630.252371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TXT0wm3YZ1 |
|---|---|
| Name | 2'',8''-EPI-FRAMEROSIDE-DIMETHYLESTER |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O15 |
| InChI | InChI=1S/C29H42O15/c1-6-14-16(9-20(31)41-11-17(25(35)38-3)15-8-7-13(2)21(15)27(37)40-5)18(26(36)39-4)12-42-28(14)44-29-24(34)23(33)22(32)19(10-30)43-29/h6,12-13,15-17,19,21-24,28-30,32-34H,7-11H2,1-5H3/b14-6+/t13-,15+,16+,17+,19+,21-,22+,23-,24+,28+,29-/m1/s1 |
| InChIKey | UIIHMJKGOSOZFZ-FLRQVZLASA-N |
| Literature Reference Author | Y.TAKENAKA,N.OKAZAKI,T.TANAHASHI,N.NAGAKURA,T.NISHI |
| Literature Reference Citation | PHYTOCHEM.,59,779(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00024-9 |
| Molecular Weight | 630.643 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2827 |