| SpectraBase Compound ID | KBeX4xZZ6hi |
|---|---|
| InChI | InChI=1S/C35H46O21/c36-11-20-24(43)27(46)29(48)34(52-20)56-32-28(47)25(44)21(12-37)53-35(32)55-31-26(45)22(13-51-23(42)6-3-14-1-4-16(38)18(40)9-14)54-33(30(31)49)50-8-7-15-2-5-17(39)19(41)10-15/h1-6,9-10,20-22,24-41,43-49H,7-8,11-13H2/b6-3+/t20-,21-,22+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+/m1/s1 |
| InChIKey | JGGVWWZQGUNVGF-HIDQKMKBSA-N |
| Mol Weight | 802.7 g/mol |
| Molecular Formula | C35H46O21 |
| Exact Mass | 802.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AmaTcAFGjP |
|---|---|
| Name | ISOCHIONOSIDE-J |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O21 |
| InChI | InChI=1S/C35H46O21/c36-11-20-24(43)27(46)29(48)34(52-20)56-32-28(47)25(44)21(12-37)53-35(32)55-31-26(45)22(13-51-23(42)6-3-14-1-4-16(38)18(40)9-14)54-33(30(31)49)50-8-7-15-2-5-17(39)19(41)10-15/h1-6,9-10,20-22,24-41,43-49H,7-8,11-13H2/b6-3+/t20-,21-,22+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+/m1/s1 |
| InChIKey | JGGVWWZQGUNVGF-HIDQKMKBSA-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 | 802.738 g/mol |
| Source File Reference | UWBT3659 |