| SpectraBase Compound ID | 9SSXIj8BJ4l |
|---|---|
| InChI | InChI=1S/C37H44O11/c1-6-7-8-9-10-17-34-46-31-27-30-33(19-38,45-30)32(42)35(43)25(18-21(4)28(35)41)37(27,48-34)22(5)29(36(31,47-34)20(2)3)44-26(40)16-13-23-11-14-24(39)15-12-23/h10-18,22,25,27,29-32,38-39,42-43H,2,6-9,19H2,1,3-5H3/b16-13+,17-10+/t22-,25-,27+,29-,30+,31-,32-,33+,34+,35-,36+,37+/m1/s1 |
| InChIKey | QBNKJHKGVLHNOB-LVDPYRILSA-N |
| Mol Weight | 664.7 g/mol |
| Molecular Formula | C37H44O11 |
| Exact Mass | 664.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABUYYquh6lG |
|---|---|
| Name | HIRSEIN-B |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44O11 |
| InChI | InChI=1S/C37H44O11/c1-6-7-8-9-10-17-34-46-31-27-30-33(19-38,45-30)32(42)35(43)25(18-21(4)28(35)41)37(27,48-34)22(5)29(36(31,47-34)20(2)3)44-26(40)16-13-23-11-14-24(39)15-12-23/h10-18,22,25,27,29-32,38-39,42-43H,2,6-9,19H2,1,3-5H3/b16-13+,17-10+/t22-,25-,27+,29-,30+,31-,32-,33+,34+,35-,36+,37+/m1/s1 |
| InChIKey | QBNKJHKGVLHNOB-LVDPYRILSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 664.750 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13489 |