| SpectraBase Compound ID | 88pjGH1C00a |
|---|---|
| InChI | InChI=1S/C32H40O17/c1-14-25(40)26(41)27(42)31(45-14)49-29-28(48-24(39)9-5-16-4-7-18(35)20(37)10-16)22(12-33)47-32(30(29)46-15(2)34)44-13-23(43-3)17-6-8-19(36)21(38)11-17/h4-11,14,22-23,25-33,35-38,40-42H,12-13H2,1-3H3/b9-5+/t14-,22-,23?,25-,26+,27+,28-,29+,30-,31-,32-/m1/s1 |
| InChIKey | JJLBUHCPBLNUIT-LYGNWNKFSA-N |
| Mol Weight | 696.7 g/mol |
| Molecular Formula | C32H40O17 |
| Exact Mass | 696.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaVaCiCdTxX |
|---|---|
| Name | KANKANOSIDE-J2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O17 |
| InChI | InChI=1S/C32H40O17/c1-14-25(40)26(41)27(42)31(45-14)49-29-28(48-24(39)9-5-16-4-7-18(35)20(37)10-16)22(12-33)47-32(30(29)46-15(2)34)44-13-23(43-3)17-6-8-19(36)21(38)11-17/h4-11,14,22-23,25-33,35-38,40-42H,12-13H2,1-3H3/b9-5+/t14-,22-,23?,25-,26+,27+,28-,29+,30-,31-,32-/m1/s1 |
| InChIKey | JJLBUHCPBLNUIT-LYGNWNKFSA-N |
| Literature Reference Author | Y.PAN,T.MORIKAWA,K.NINOMIYA,K.IMURA,D.YUAN,M.YOSHIKAWA,O.MUR AOKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,575(2010) |
| Literature Reference DOI | 10.1248/cpb.58.575 |
| Molecular Weight | 696.659 g/mol |
| Sample ID | 3469 |
| Solvent | CD3OD |