| SpectraBase Compound ID | 6bspkKGOVJ2 |
|---|---|
| InChI | InChI=1S/C28H40O10/c1-13-10-21(38-22(33)14(13)2)25(5,34)28(37)20(32)12-26(35)16-11-19(31)27(36)18(30)7-6-17(29)24(27,4)15(16)8-9-23(26,28)3/h6-7,15-16,18-21,30-32,34-37H,8-12H2,1-5H3/t15-,16+,18-,19+,20-,21?,23-,24-,25?,26+,27-,28-/m0/s1 |
| InChIKey | AXVGKUKJECSDCD-TUKLKSOESA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C28H40O10 |
| Exact Mass | 536.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnMS3FFhg0B |
|---|---|
| Name | WITHANGULATIN_G;16-BETA-HYDROXYWITHAPERUVIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O10 |
| InChI | InChI=1S/C28H40O10/c1-13-10-21(38-22(33)14(13)2)25(5,34)28(37)20(32)12-26(35)16-11-19(31)27(36)18(30)7-6-17(29)24(27,4)15(16)8-9-23(26,28)3/h6-7,15-16,18-21,30-32,34-37H,8-12H2,1-5H3/t15-,16+,18-,19+,20-,21?,23-,24-,25?,26+,27-,28-/m0/s1 |
| InChIKey | AXVGKUKJECSDCD-TUKLKSOESA-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 | 536.620 g/mol |
| Sample ID | 30704 |
| Solvent | C5D5N |