| SpectraBase Compound ID | 2UHqWfPlgwb |
|---|---|
| InChI | InChI=1S/C29H44O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-23H,8,10-18H2,1-6H3/b9-7+/t19-,21-,22+,23+,26-,27+,28-,29+/m1/s1 |
| InChIKey | SRSDDLZWQZWBBZ-FFGFJAQXSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C29H44O2 |
| Exact Mass | 424.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JspdSDsnHD9 |
|---|---|
| Name | VATICINONE;(23E)-27-NOR-CYCLOART-23-EN-3,25-DIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O2 |
| InChI | InChI=1S/C29H44O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-23H,8,10-18H2,1-6H3/b9-7+/t19-,21-,22+,23+,26-,27+,28-,29+/m1/s1 |
| InChIKey | SRSDDLZWQZWBBZ-FFGFJAQXSA-N |
| Literature Reference Author | H.J.ZHANG,G.T.TAN,V.D.HOANG,N.V.HUNG,N.M.CUONG,D.D.SOEJARTO, J.M.PEZZUTO,H.H.S.FO |
| Literature Reference Citation | J.NAT.PROD.,66,263(2003) |
| Literature Reference DOI | 10.1021/np020379y |
| Molecular Weight | 424.667 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI4526 |