| SpectraBase Compound ID | H3KrU5Q8lPP |
|---|---|
| InChI | InChI=1S/C27H34O9/c1-24(2)19(18(29)21(30)34-5)26(4)15-6-8-25(3)16(14(15)11-27(33,22(24)31)23(26)32)10-17(28)36-20(25)13-7-9-35-12-13/h7,9,12,15,18-20,22,29,31,33H,6,8,10-11H2,1-5H3/t15-,18-,19-,20-,22-,25+,26+,27+/m0/s1 |
| InChIKey | ROELJMJDOPSYJR-VZUUWENESA-N |
| Mol Weight | 502.6 g/mol |
| Molecular Formula | C27H34O9 |
| Exact Mass | 502.220283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9Qv6L1wyq3 |
|---|---|
| Name | 2-ALPHA-HYDROXYSWIETENOLIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O9 |
| InChI | InChI=1S/C27H34O9/c1-24(2)19(18(29)21(30)34-5)26(4)15-6-8-25(3)16(14(15)11-27(33,22(24)31)23(26)32)10-17(28)36-20(25)13-7-9-35-12-13/h7,9,12,15,18-20,22,29,31,33H,6,8,10-11H2,1-5H3/t15-,18-,19-,20-,22-,25+,26+,27+/m0/s1 |
| InChIKey | ROELJMJDOPSYJR-VZUUWENESA-N |
| Literature Reference Author | P.H.COOMBES,D.A.MULHOLLAND,M.RANDRIANARIVELOJOSIA |
| Literature Reference Citation | PHYTOCHEM.,66,1100(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.03.002 |
| Molecular Weight | 502.562 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25556 |