| SpectraBase Compound ID | 4WmGnC5TwBN |
|---|---|
| InChI | InChI=1S/C41H52O18/c1-19-35(7,55-19)32(48)54-30-34(6)18-38-36(8,24(34)14-27(46)49-10)41-26(45)16-33(5,29(52-20(2)42)23-12-13-51-17-23)25(15-28(47)50-11)39(41,58-37(9,57-38)59-41)31(53-21(3)43)40(30,38)56-22(4)44/h12-13,17,19,24-26,29-31,45H,14-16,18H2,1-11H3/t19-,24+,25-,26-,29+,30+,31+,33-,34+,35+,36-,37-,38-,39-,40+,41+/m1/s1 |
| InChIKey | UOXYGCFXPXLKRL-GBXOCTLJSA-N |
| Mol Weight | 832.8 g/mol |
| Molecular Formula | C41H52O18 |
| Exact Mass | 832.315365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjSJSFUjpvr |
|---|---|
| Name | SWIETENITIN_G |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52O18 |
| InChI | InChI=1S/C41H52O18/c1-19-35(7,55-19)32(48)54-30-34(6)18-38-36(8,24(34)14-27(46)49-10)41-26(45)16-33(5,29(52-20(2)42)23-12-13-51-17-23)25(15-28(47)50-11)39(41,58-37(9,57-38)59-41)31(53-21(3)43)40(30,38)56-22(4)44/h12-13,17,19,24-26,29-31,45H,14-16,18H2,1-11H3/t19-,24+,25-,26-,29+,30+,31+,33-,34+,35+,36-,37-,38-,39-,40+,41+/m1/s1 |
| InChIKey | UOXYGCFXPXLKRL-GBXOCTLJSA-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 | 832.853 g/mol |
| Sample ID | 33217 |
| Solvent | CDCl3 |