| SpectraBase Compound ID | IAs0DZGo7ib |
|---|---|
| InChI | InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9+,11+,12-,13+,15+,16-/m1/s1 |
| InChIKey | RGTONEMDTVVDMY-CVJRUUBTSA-N |
| Mol Weight | 390.34 g/mol |
| Molecular Formula | C16H22O11 |
| Exact Mass | 390.116212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nbp1X0qeYB |
|---|---|
| Name | SECOLOGANOSIDE |
| Compound Number | 114 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H22O11 |
| InChI | InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9+,11+,12-,13+,15+,16-/m1/s1 |
| InChIKey | RGTONEMDTVVDMY-CVJRUUBTSA-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 | 390.344 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS4475 |