| SpectraBase Compound ID | KDXpq60I17p |
|---|---|
| InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)54-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(38(3,4)35(39)23(46)17-41(26,40)7)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35?,36-,37-,39+,40+,41+,42-/m0/s1 |
| InChIKey | AVTXSAWPGCSYFO-RFULBHNWSA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C42H72O14 |
| Exact Mass | 800.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOnpgjxw37Q |
|---|---|
| Name | GINSENOSIDE_IA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O14 |
| InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)54-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(38(3,4)35(39)23(46)17-41(26,40)7)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35?,36-,37-,39+,40+,41+,42-/m0/s1 |
| InChIKey | AVTXSAWPGCSYFO-RFULBHNWSA-N |
| Literature Reference Author | D.DOU,Y.WEN,Y.PEI,X.YAO,Y.CHEN,H.KAWAI,H.FUKUSHIMA |
| Literature Reference Citation | PLANTA.MED.,62,179(1996) |
| Literature Reference DOI | 10.1055/s-2006-957849 |
| Molecular Weight | 801.025 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP823 |