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5.alpha.-Senecioyloxysilphinen-3-one
SpectraBase Compound ID 456PxHEfJzq
InChI InChI=1S/C20H28O3/c1-12(2)11-16(22)23-17-18(4,5)14-8-7-13(3)20(14)10-9-15(21)19(17,20)6/h9-11,13-14,17H,7-8H2,1-6H3/t13-,14?,17+,19+,20?/m1/s1
InChIKey QKUTXWFVXMWLEG-VJJRGRLVSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyKcQwvlSfm
Name 5.alpha.-Senecioyloxysilphinen-3-one
Appearance oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)11-16(22)23-17-18(4,5)14-8-7-13(3)20(14)10-9-15(21)19(17,20)6/h9-11,13-14,17H,7-8H2,1-6H3/t13-,14?,17+,19+,20?/m1/s1
InChIKey QKUTXWFVXMWLEG-VJJRGRLVSA-N
Instrument Name Autospect
Ionization Type EI
Literature Reference DOI 10.1021/np0105533
Molecular Weight 316.441 g/mol
Optical Rotation [a]D = -7.1 (c = 0.014, CHCl3)
Reported Formula C20H28O3
SMILES C1(C=CC23[C@@]1([C@](C(C3CC[C@]2(C)[H])(C)C)(OC(C=C(C)C)=O)[H])C)=O
SPLASH splash10-001i-9140000000-d1c474574cdb080eb758
Source of Spectrum G4-65-452-5
Wiley ID 1883624