| SpectraBase Compound ID | 9N3dtoMwkan |
|---|---|
| InChI | InChI=1S/C28H38O9/c1-13-10-20(36-22(32)14(13)2)25(5,33)26(34)12-19(31)27(35)16-11-21-28(37-21)18(30)7-6-17(29)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-16,18-21,30-31,33-35H,8-12H2,1-5H3/t15-,16+,18-,19-,20?,21+,23+,24-,25-,26-,27-,28+/m0/s1 |
| InChIKey | SPWPBRRAOLCYQT-FDDVJPDWSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C28H38O9 |
| Exact Mass | 518.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11q9vvnQP2d |
|---|---|
| Name | WITHANGULATIN_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O9 |
| InChI | InChI=1S/C28H38O9/c1-13-10-20(36-22(32)14(13)2)25(5,33)26(34)12-19(31)27(35)16-11-21-28(37-21)18(30)7-6-17(29)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-16,18-21,30-31,33-35H,8-12H2,1-5H3/t15-,16+,18-,19-,20?,21+,23+,24-,25-,26-,27-,28+/m0/s1 |
| InChIKey | SPWPBRRAOLCYQT-FDDVJPDWSA-N |
| Literature Reference Author | A.G.DAMU,P.C.KUO,C.R.SU,T.H.KUO,T.H.CHEN,K.F.BASTOW,K.H.LEE, T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,70,1146(2007) |
| Literature Reference DOI | 10.1021/np0701374 |
| Molecular Weight | 518.604 g/mol |
| Sample ID | 30700 |
| Solvent | CDCl3 |