| SpectraBase Compound ID | 83Emg1wfNiL |
|---|---|
| InChI | InChI=1S/C19H28O11/c1-4-10-11(5-6-27-9(2)21)12(17(25)26-3)8-28-18(10)30-19-16(24)15(23)14(22)13(7-20)29-19/h4,8,10-11,13-16,18-20,22-24H,1,5-7H2,2-3H3/t10-,11+,13+,14+,15-,16+,18+,19-/m1/s1 |
| InChIKey | AZTRYHTVBTWERW-HYQJHYJJSA-N |
| Mol Weight | 432.42 g/mol |
| Molecular Formula | C19H28O11 |
| Exact Mass | 432.163162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27lShhJkmig |
|---|---|
| Name | 7-O-ACETYL-SECOLOGANOL |
| Compound Number | 112 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H28O11 |
| InChI | InChI=1S/C19H28O11/c1-4-10-11(5-6-27-9(2)21)12(17(25)26-3)8-28-18(10)30-19-16(24)15(23)14(22)13(7-20)29-19/h4,8,10-11,13-16,18-20,22-24H,1,5-7H2,2-3H3/t10-,11+,13+,14+,15-,16+,18+,19-/m1/s1 |
| InChIKey | AZTRYHTVBTWERW-HYQJHYJJSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 432.425 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS4473 |