| SpectraBase Compound ID | 9T5A5UppYRk |
|---|---|
| InChI | InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8-,9+,11+,13+,14-,15+,17+,18-/m1/s1 |
| InChIKey | MPCHHOVJEMEKKG-IMUUXBOFSA-N |
| Mol Weight | 418.4 g/mol |
| Molecular Formula | C18H26O11 |
| Exact Mass | 418.147512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlDNzMzzgZX |
|---|---|
| Name | SECOLOGANOSIDE-DIMETHYLESTER |
| Compound Number | 116 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H26O11 |
| InChI | InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8-,9+,11+,13+,14-,15+,17+,18-/m1/s1 |
| InChIKey | MPCHHOVJEMEKKG-IMUUXBOFSA-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 | 418.398 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS4477 |