| SpectraBase Compound ID | 1K3bbCzy5QG |
|---|---|
| InChI | InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15?,16-,18+,19-,23+,24-,25-,26-,27?,28-/m0/s1 |
| InChIKey | HVTFEHJSUSPQBK-ZQDFIXBYSA-N |
| Mol Weight | 510.54 g/mol |
| Molecular Formula | C28H30O9 |
| Exact Mass | 510.188983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeA2uS9M0iZ |
|---|---|
| Name | PHYSALIN_B;LITERATURE_VALUES |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O9 |
| InChI | InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15?,16-,18+,19-,23+,24-,25-,26-,27?,28-/m0/s1 |
| InChIKey | HVTFEHJSUSPQBK-ZQDFIXBYSA-N |
| Literature Reference Author | N.J.JACOBO-HERRERA,P.BREMNER,N.MARQUEZ,M.P.GUPTA,S.GIBBONS,E .MUNOZ,M.HEINRICH |
| Literature Reference Citation | J.NAT.PROD.,69,328(2006) |
| Literature Reference DOI | 10.1021/np050225t |
| Molecular Weight | 510.541 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ18202 |