| SpectraBase Compound ID | 19odDyU4Vxd |
|---|---|
| InChI | InChI=1S/C44H56O19/c1-13-29(48)57-34-42-27(17-31(50)53-12)36(6,32(56-23(4)46)25-14-15-54-19-25)18-28(55-22(3)45)44(42)39(9)26(16-30(49)52-11)37(7)20-41(39,61-40(10,62-42)63-44)43(34,60-24(5)47)33(37)58-35(51)38(8)21(2)59-38/h14-15,19,21,26-28,32-34H,13,16-18,20H2,1-12H3/t21-,26+,27-,28-,32+,33+,34+,36-,37+,38+,39-,40-,41-,42-,43+,44+/m1/s1 |
| InChIKey | REQCDEGGOYWNLI-MYKZCNTJSA-N |
| Mol Weight | 888.9 g/mol |
| Molecular Formula | C44H56O19 |
| Exact Mass | 888.34158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkgqvbQwSRN |
|---|---|
| Name | 2,11-DIACETOXYSWIETENIALIDE_D |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56O19 |
| InChI | InChI=1S/C44H56O19/c1-13-29(48)57-34-42-27(17-31(50)53-12)36(6,32(56-23(4)46)25-14-15-54-19-25)18-28(55-22(3)45)44(42)39(9)26(16-30(49)52-11)37(7)20-41(39,61-40(10,62-42)63-44)43(34,60-24(5)47)33(37)58-35(51)38(8)21(2)59-38/h14-15,19,21,26-28,32-34H,13,16-18,20H2,1-12H3/t21-,26+,27-,28-,32+,33+,34+,36-,37+,38+,39-,40-,41-,42-,43+,44+/m1/s1 |
| InChIKey | REQCDEGGOYWNLI-MYKZCNTJSA-N |
| Literature Reference Author | B.D.LIN,C.R.ZHANG,S.P.YANG,S.ZHANG,Y.WU,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,72,1305(2009) |
| Literature Reference DOI | 10.1021/np900139c |
| Molecular Weight | 888.917 g/mol |
| Sample ID | 33218 |
| Solvent | CDCl3 |