| SpectraBase Compound ID | NEywR8edlH |
|---|---|
| InChI | InChI=1S/C25H42O11/c1-5-8-10-32-19(33-11-9-6-2)12-16-15(7-3)24(34-14-17(16)23(30)31-4)36-25-22(29)21(28)20(27)18(13-26)35-25/h7,14-16,18-22,24-29H,3,5-6,8-13H2,1-2,4H3/t15-,16+,18+,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | UZDJXAVCRQWDLD-KJRHIUKHSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C25H42O11 |
| Exact Mass | 518.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQSYkKNxAzi |
|---|---|
| Name | SECOLOGANIN-DIBUTYLACETAL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42O11 |
| InChI | InChI=1S/C25H42O11/c1-5-8-10-32-19(33-11-9-6-2)12-16-15(7-3)24(34-14-17(16)23(30)31-4)36-25-22(29)21(28)20(27)18(13-26)35-25/h7,14-16,18-22,24-29H,3,5-6,8-13H2,1-2,4H3/t15-,16+,18+,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | UZDJXAVCRQWDLD-KJRHIUKHSA-N |
| Literature Reference Author | L.TOMASSINI,M.F.COMETA,M.SERAFINI,M.NICOLETTI |
| Literature Reference Citation | J.NAT.PROD.,58,1756(1995) |
| Literature Reference DOI | 10.1021/np50125a020 |
| Molecular Weight | 518.602 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS22709 |