| SpectraBase Compound ID | Ehg6dNgXenV |
|---|---|
| InChI | InChI=1S/C33H35NO7/c1-21-10-8-14-25-31(2,16-15-22-18-26(35)39-20-22)33(4,38)28(41-29(36)23-11-6-5-7-12-23)27(32(21,25)3)40-30(37)24-13-9-17-34-19-24/h5-7,9-13,15-19,25,27-28,38H,8,14,20H2,1-4H3/b16-15+/t25-,27+,28+,31-,32+,33+/m1/s1 |
| InChIKey | QSKVSBUCFQUTSW-IWSWVWQKSA-N |
| Mol Weight | 557.6 g/mol |
| Molecular Formula | C33H35NO7 |
| Exact Mass | 557.241352 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5H3PUYLXoJ |
|---|---|
| Name | SCUTEBARBATINE-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H35NO7 |
| InChI | InChI=1S/C33H35NO7/c1-21-10-8-14-25-31(2,16-15-22-18-26(35)39-20-22)33(4,38)28(41-29(36)23-11-6-5-7-12-23)27(32(21,25)3)40-30(37)24-13-9-17-34-19-24/h5-7,9-13,15-19,25,27-28,38H,8,14,20H2,1-4H3/b16-15+/t25-,27+,28+,31-,32+,33+/m1/s1 |
| InChIKey | QSKVSBUCFQUTSW-IWSWVWQKSA-N |
| Literature Reference Author | S.J.DAI,J.Y.TAO,K.LIU,Y.T.JIANG,L.SHEN |
| Literature Reference Citation | PHYTOCHEM.,67,1326(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.04.024 |
| Molecular Weight | 557.643 g/mol |
| Sample ID | 67010 |
| Solvent | CDCl3 |