SpectraBase Compound ID | 1qYqvSlKQTG |
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InChI | InChI=1S/C20H28O6/c1-6-11(2)16(22)26-20(5)12-7-9-18(3)13(21)8-10-19(4,24)15(18)14(12)25-17(20)23/h6,8,10,12-15,21,24H,7,9H2,1-5H3/b11-6-/t12-,13-,14-,15+,18-,19-,20+/m1/s1 |
InChIKey | KDPHCSNHVZVWJT-SBUKPUJSSA-N |
Mol Weight | 364.44 g/mol |
Molecular Formula | C20H28O6 |
Exact Mass | 364.188589 g/mol |
SpectraBase Spectrum ID | 6gJ0pmC2qaN |
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Name | Decipenin D |
Appearance | Colorless oil |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C20H28O6 |
InChI | InChI=1S/C20H28O6/c1-6-11(2)16(22)26-20(5)12-7-9-18(3)13(21)8-10-19(4,24)15(18)14(12)25-17(20)23/h6,8,10,12-15,21,24H,7,9H2,1-5H3/b11-6-/t12-,13-,14-,15+,18-,19-,20+/m1/s1 |
InChIKey | KDPHCSNHVZVWJT-SBUKPUJSSA-N |
Instrument Name | JEOL JMSD-300 |
Ionization Type | EI |
Literature Reference DOI | 10.1021/np020014d |
Molecular Weight | 364.438 g/mol |
Optical Rotation | [a]D = -76.6 (c = 0.3, CHCl3) |
Reported Formula | C20H28O6 |
SMILES | O[C@@]1(C=C[C@]([C@@]2([C@@]1([C@]1([C@@](CC2)([C@@](C(O1)=O)(OC(\C(=C/C)C)=O)C)[H])[H])[H])C)(O)[H])C |
SPLASH | splash10-0gb9-3982000000-3469ab4f6b9f29e24c40 |
Source of Spectrum | G4-65-1902-18 |
Wiley ID | 1883528 |