| SpectraBase Compound ID | GzxC0DCWqZ8 |
|---|---|
| InChI | InChI=1S/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23+,24-,27+,28-,29+,30-/m1/s1 |
| InChIKey | PDKGFQJSCXMICA-XSFXNTJTSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C30H40O9 |
| Exact Mass | 544.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUwcu4EaHfC |
|---|---|
| Name | 3-DEACETYLKHIVORIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O9 |
| InChI | InChI=1S/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23+,24-,27+,28-,29+,30-/m1/s1 |
| InChIKey | PDKGFQJSCXMICA-XSFXNTJTSA-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 | 544.642 g/mol |
| Sample ID | 42262 |
| Solvent | CDCl3 |