SpectraBase Compound ID | GRqagPTuW6v |
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InChI | InChI=1S/C20H26O3/c1-10-11-5-6-14-19(4)12-7-8-18(2,3)13(12)9-15(23-19)20(14,16(10)21)17(11)22/h7,11,13-15,17,22H,1,5-6,8-9H2,2-4H3/t11-,13-,14-,15-,17+,19+,20-/m0/s1 |
InChIKey | CYJRXJPSWBHVJE-ZACLSARSSA-N |
Mol Weight | 314.43 g/mol |
Molecular Formula | C20H26O3 |
Exact Mass | 314.188195 g/mol |
SpectraBase Spectrum ID | GLJCInYfsf2 |
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Name | Crotonkinensin B |
Appearance | Colorless oil |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C20H26O3 |
InChI | InChI=1S/C20H26O3/c1-10-11-5-6-14-19(4)12-7-8-18(2,3)13(12)9-15(23-19)20(14,16(10)21)17(11)22/h7,11,13-15,17,22H,1,5-6,8-9H2,2-4H3/t11-,13-,14-,15-,17+,19+,20-/m0/s1 |
InChIKey | CYJRXJPSWBHVJE-ZACLSARSSA-N |
Ionization Type | EI |
Literature Reference DOI | 10.1021/np900215r |
Molecular Weight | 314.425 g/mol |
Optical Rotation | [a]D25 = -73.1 (c = 0.31, MeOH) |
Reported Formula | C20H26O3 |
SMILES | O[C@@]1([C@]2(CC[C@@]3([C@]1([C@@]1(C[C@]4(C([C@]3(O1)C)=CCC4(C)C)[H])[H])C(C2=C)=O)[H])[H])[H] |
SPLASH | splash10-0002-4690000000-c3093aa319199cbb7c9f |
Source of Spectrum | G4-72-2042-2 |
Wiley ID | 1872077 |