| SpectraBase Compound ID | KxdALcBbdAv |
|---|---|
| InChI | InChI=1S/C42H54O18/c1-12-27(46)54-32-40-25(16-29(48)51-11)34(5,30(53-21(3)43)23-13-14-52-18-23)17-26(45)42(40)37(8)24(15-28(47)50-10)35(6)19-39(37,58-38(9,59-40)60-42)41(32,57-22(4)44)31(35)55-33(49)36(7)20(2)56-36/h13-14,18,20,24-26,30-32,45H,12,15-17,19H2,1-11H3/t20-,24+,25-,26-,30+,31+,32+,34-,35+,36+,37-,38-,39-,40-,41+,42+/m1/s1 |
| InChIKey | LLOGDJRONUILKU-FWLWZSEWSA-N |
| Mol Weight | 846.9 g/mol |
| Molecular Formula | C42H54O18 |
| Exact Mass | 846.331015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvKWF8N2tph |
|---|---|
| Name | 2-ACETOXYSWIETENIALIDE_D |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O18 |
| InChI | InChI=1S/C42H54O18/c1-12-27(46)54-32-40-25(16-29(48)51-11)34(5,30(53-21(3)43)23-13-14-52-18-23)17-26(45)42(40)37(8)24(15-28(47)50-10)35(6)19-39(37,58-38(9,59-40)60-42)41(32,57-22(4)44)31(35)55-33(49)36(7)20(2)56-36/h13-14,18,20,24-26,30-32,45H,12,15-17,19H2,1-11H3/t20-,24+,25-,26-,30+,31+,32+,34-,35+,36+,37-,38-,39-,40-,41+,42+/m1/s1 |
| InChIKey | LLOGDJRONUILKU-FWLWZSEWSA-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 | 846.880 g/mol |
| Sample ID | 33216 |
| Solvent | CDCl3 |