| SpectraBase Compound ID | DnHcuD4BHJp |
|---|---|
| InChI | InChI=1S/C26H38O9/c1-11-6-7-13(25(3,4)32)9-15-17(11)18-14(8-12(2)19(18)28)23(26(15,5)33)35-24-22(31)21(30)20(29)16(10-27)34-24/h9,12,15-17,20-24,27,29-33H,1,6-8,10H2,2-5H3/t12-,15-,16-,17-,20-,21+,22-,23+,24+,26-/m1/s1 |
| InChIKey | SHNSQTXNLKJVQF-HZQUWOIASA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C26H38O9 |
| Exact Mass | 494.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nOFKrGt5zM |
|---|---|
| Name | ISOCROTOFOLANE-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38O9 |
| InChI | InChI=1S/C26H38O9/c1-11-6-7-13(25(3,4)32)9-15-17(11)18-14(8-12(2)19(18)28)23(26(15,5)33)35-24-22(31)21(30)20(29)16(10-27)34-24/h9,12,15-17,20-24,27,29-33H,1,6-8,10H2,2-5H3/t12-,15-,16-,17-,20-,21+,22-,23+,24+,26-/m1/s1 |
| InChIKey | SHNSQTXNLKJVQF-HZQUWOIASA-N |
| Literature Reference Author | S.KAWAKAMI,K.MATSUNAMI,H.OTSUKA,M.INAGAKI,Y.TAKEDA,M.KAWAHAT A,K.YAMAGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,1047(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00635 |
| Molecular Weight | 494.582 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA10181 |