| SpectraBase Compound ID | 45OlrOUHMG |
|---|---|
| InChI | InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m0/s1 |
| InChIKey | ABKPQICIFGNRAA-FWOCPCJMSA-N |
| Mol Weight | 678.6 g/mol |
| Molecular Formula | C29H42O18 |
| Exact Mass | 678.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LF0D0yPLnij |
|---|---|
| Name | TANGSHENOSIDE-I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O18 |
| InChI | InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m0/s1 |
| InChIKey | ABKPQICIFGNRAA-FWOCPCJMSA-N |
| Literature Reference Author | W.G.MA,R.X.TAN,N.FUZZATI,Q.S.LI,J.L.WOLFENEDER,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,45,411(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00849-7 |
| Molecular Weight | 678.642 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1389 |