| SpectraBase Compound ID | EjnDnwrNKdv |
|---|---|
| InChI | InChI=1S/C34H44O20/c35-11-21-25(43)27(45)29(47)33(51-21)53-30-26(44)22(13-49-23(41)6-3-14-1-4-16(36)18(38)9-14)52-34(48-8-7-15-2-5-17(37)19(39)10-15)31(30)54-32-28(46)24(42)20(40)12-50-32/h1-6,9-10,20-22,24-40,42-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-/m0/s1 |
| InChIKey | NGFDCNLHAISICV-XIHRCRMZSA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C34H44O20 |
| Exact Mass | 772.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYK9vBIpugt |
|---|---|
| Name | ISOARAGOSIDE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44O20 |
| InChI | InChI=1S/C34H44O20/c35-11-21-25(43)27(45)29(47)33(51-21)53-30-26(44)22(13-49-23(41)6-3-14-1-4-16(36)18(38)9-14)52-34(48-8-7-15-2-5-17(37)19(39)10-15)31(30)54-32-28(46)24(42)20(40)12-50-32/h1-6,9-10,20-22,24-40,42-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-/m0/s1 |
| InChIKey | NGFDCNLHAISICV-XIHRCRMZSA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,703(2010) |
| Literature Reference DOI | 10.1248/cpb.58.703 |
| Molecular Weight | 772.711 g/mol |
| Source File Reference | UWBT3660 |