| SpectraBase Compound ID | GN1QIHebWhn |
|---|---|
| InChI | InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13?,14-,16+,17+,18-,22+,23-,24-,25-,26-,27?,28-/m0/s1 |
| InChIKey | DUGJJSWZRHBJJK-PHRSWQEDSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C28H32O11 |
| Exact Mass | 544.194462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3goCp7nOKM0 |
|---|---|
| Name | PHYSALIN_D;LITERATURE_VALUES |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O11 |
| InChI | InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13?,14-,16+,17+,18-,22+,23-,24-,25-,26-,27?,28-/m0/s1 |
| InChIKey | DUGJJSWZRHBJJK-PHRSWQEDSA-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 | 544.555 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ18206 |