| SpectraBase Compound ID | 9aruLSygjWF |
|---|---|
| InChI | InChI=1S/C21H34O15/c1-6-10(24)12(26)14(28)19(33-6)35-16-7-2-3-32-18(9(7)21(31,5-23)17(16)30)36-20-15(29)13(27)11(25)8(4-22)34-20/h2-3,6-20,22-31H,4-5H2,1H3/t6-,7-,8+,9-,10-,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21+/m1/s1 |
| InChIKey | QJMLIWAVRXZVOF-YKNRUDHQSA-N |
| Mol Weight | 526.5 g/mol |
| Molecular Formula | C21H34O15 |
| Exact Mass | 526.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZPYKQcmuqr |
|---|---|
| Name | VERBACOSIDE_B |
| Compound Number | 126 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O15 |
| InChI | InChI=1S/C21H34O15/c1-6-10(24)12(26)14(28)19(33-6)35-16-7-2-3-32-18(9(7)21(31,5-23)17(16)30)36-20-15(29)13(27)11(25)8(4-22)34-20/h2-3,6-20,22-31H,4-5H2,1H3/t6-,7-,8+,9-,10-,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21+/m1/s1 |
| InChIKey | QJMLIWAVRXZVOF-YKNRUDHQSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 526.492 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16113 |