| SpectraBase Compound ID | GFxi5nmb4dS |
|---|---|
| InChI | InChI=1S/C35H46O20/c1-48-21-6-3-16(11-19(21)39)8-9-49-35-32(55-33-29(46)25(42)20(40)13-51-33)31(54-34-30(47)28(45)26(43)22(12-36)52-34)27(44)23(53-35)14-50-24(41)7-4-15-2-5-17(37)18(38)10-15/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m0/s1 |
| InChIKey | NATCYWOQXLKDNI-SUBDJZBDSA-N |
| Mol Weight | 786.7 g/mol |
| Molecular Formula | C35H46O20 |
| Exact Mass | 786.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KECfZ4QexHZ |
|---|---|
| Name | ISOCHIONOSIDE-K |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O20 |
| InChI | InChI=1S/C35H46O20/c1-48-21-6-3-16(11-19(21)39)8-9-49-35-32(55-33-29(46)25(42)20(40)13-51-33)31(54-34-30(47)28(45)26(43)22(12-36)52-34)27(44)23(53-35)14-50-24(41)7-4-15-2-5-17(37)18(38)10-15/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m0/s1 |
| InChIKey | NATCYWOQXLKDNI-SUBDJZBDSA-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 | 786.738 g/mol |
| Source File Reference | UWBT3661 |