| SpectraBase Compound ID | BuEPnPVTfwg |
|---|---|
| InChI | InChI=1S/C20H30O13/c21-4-7-3-9(22)8-1-2-29-18(12(7)8)33-20-17(28)15(26)14(25)11(32-20)6-31-19-16(27)13(24)10(23)5-30-19/h1-3,8-28H,4-6H2/t8-,9+,10-,11-,12+,13+,14-,15+,16-,17-,18-,19-,20+/m0/s1 |
| InChIKey | JRFLCZBZAJEBFR-QQVJTUBOSA-N |
| Mol Weight | 478.45 g/mol |
| Molecular Formula | C20H30O13 |
| Exact Mass | 478.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A85UFlREssC |
|---|---|
| Name | AUCUBIGENIN-1-O-BETA-SEROTINOSIDE |
| CAS Registry Number | 79127-31-4 |
| Compound Number | 62 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O13 |
| InChI | InChI=1S/C20H30O13/c21-4-7-3-9(22)8-1-2-29-18(12(7)8)33-20-17(28)15(26)14(25)11(32-20)6-31-19-16(27)13(24)10(23)5-30-19/h1-3,8-28H,4-6H2/t8-,9+,10-,11-,12+,13+,14-,15+,16-,17-,18-,19-,20+/m0/s1 |
| InChIKey | JRFLCZBZAJEBFR-QQVJTUBOSA-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 | 478.450 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16056 |