| SpectraBase Compound ID | LGKCpfS3JjE |
|---|---|
| InChI | InChI=1S/C25H32O8/c26-14-21-22(28)23(29)24(30)25(33-21)32-19-12-8-16-5-9-17(27)4-2-1-3-15-6-10-18(11-7-15)31-20(19)13-16/h6-8,10-13,17,21-30H,1-5,9,14H2/t17-,21-,22-,23+,24-,25-/m1/s1 |
| InChIKey | JTRDCQXYJNZURE-SQESJSQNSA-N |
| Mol Weight | 460.5 g/mol |
| Molecular Formula | C25H32O8 |
| Exact Mass | 460.209718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbhbhTWGihJ |
|---|---|
| Name | ACEROSIDE-B1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O8 |
| InChI | InChI=1S/C25H32O8/c26-14-21-22(28)23(29)24(30)25(33-21)32-19-12-8-16-5-9-17(27)4-2-1-3-15-6-10-18(11-7-15)31-20(19)13-16/h6-8,10-13,17,21-30H,1-5,9,14H2/t17-,21-,22-,23+,24-,25-/m1/s1 |
| InChIKey | JTRDCQXYJNZURE-SQESJSQNSA-N |
| Literature Reference Author | T.MORIKAWA,J.TAO,I.TOGUCHIDA,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | J.NAT.PROD.,66,86(2003) |
| Literature Reference DOI | 10.1021/np020351m |
| Molecular Weight | 460.524 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16685 |