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91.alpha.,2.alpha.,9.alpha.,12.beta.,19.alpha.,20.alpha.)-(+-)-22-oxapentacyclo[18.3.0.0(2,10).0(9,12).0(11,19)]tricos-10-ene-21,23-dione

View entire compound with spectra: 1 MS (GC)

91.alpha.,2.alpha.,9.alpha.,12.beta.,19.alpha.,20.alpha.)-(+-)-22-oxapentacyclo[18.3.0.0(2,10).0(9,12).0(11,19)]tricos-10-ene-21,23-dione
SpectraBase Compound ID 69kf7PiefPW
InChI InChI=1S/C22H30O3/c23-21-19-15-11-7-3-1-5-9-13-14-10-6-2-4-8-12-16(18(14)17(13)15)20(19)22(24)25-21/h13-16,19-20H,1-12H2/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKey XMWBTDRTZSITLJ-PSJNWGMYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIn7lrOsJpt
Name 91.alpha.,2.alpha.,9.alpha.,12.beta.,19.alpha.,20.alpha.)-(+-)-22-oxapentacyclo[18.3.0.0(2,10).0(9,12).0(11,19)]tricos-10-ene-21,23-dione
CAS Registry Number 129756-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c23-21-19-15-11-7-3-1-5-9-13-14-10-6-2-4-8-12-16(18(14)17(13)15)20(19)22(24)25-21/h13-16,19-20H,1-12H2/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKey XMWBTDRTZSITLJ-PSJNWGMYSA-N
Molecular Weight 342.479 g/mol
SMILES C12=C3[C@@]4(CCCCCC[C@]3([C@@]2(CCCCCC[C@@]1([C@]1(C(OC([C@]41[H])=O)=O)[H])[H])[H])[H])[H]
SPLASH splash10-03kc-0029000000-8b8e14a6078bbdea6b46
Source of Spectrum K-124-152-5
Synonyms (3R,10R,11S,15R,16S,23R)-13-oxapentacyclo[14.7.0.0(2,10).0(3,23).0(11,15)]tricos-1-ene-12,14-dione
Wiley ID 1336934