| SpectraBase Compound ID | CiOblTsdEj6 |
|---|---|
| InChI | InChI=1S/C27H34O9/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-17-11-18(28)36-24(2,3)21(26(16,17)5)20(30)23(31)32-6/h8,10,13,16-17,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,17-,20+,21-,22-,25-,26-,27-/m0/s1 |
| InChIKey | WZMQOORLOIIGRA-KFHOXVFPSA-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 | 3WOcTEAPQiP |
|---|---|
| Name | KHAYSENEGANIN_D;6-BETA-HYDROXYMETHYL_IVORENSATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O9 |
| InChI | InChI=1S/C27H34O9/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-17-11-18(28)36-24(2,3)21(26(16,17)5)20(30)23(31)32-6/h8,10,13,16-17,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,17-,20+,21-,22-,25-,26-,27-/m0/s1 |
| InChIKey | WZMQOORLOIIGRA-KFHOXVFPSA-N |
| Literature Reference Author | C.M.YUAN,Y.ZHANG,G.H.TANG,Y.T.DI,M.M.CAO,X.Y.WANG,G.Y.ZUO,S. L.LI,H.M.HUA,H.P.HE, |
| Literature Reference Citation | J.NAT.PROD.,76,327(2013) |
| Literature Reference DOI | 10.1021/np3006919 |
| Molecular Weight | 502.562 g/mol |
| Sample ID | 42261 |
| Solvent | CDCl3 |