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(1.alpha.,2.alpha.,9.alpha.,12.beta.,19.alpha.,20.alpha.)-22,23-dimethylpentacyclo[18.4.0.0(2,10).0(9,12).0(11,19)]tetracosa-10,22 diene-21,24-dione

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.alpha.,9.alpha.,12.beta.,19.alpha.,20.alpha.)-22,23-dimethylpentacyclo[18.4.0.0(2,10).0(9,12).0(11,19)]tetracosa-10,22 diene-21,24-dione
SpectraBase Compound ID 2jiwjYZt6XA
InChI InChI=1S/C26H36O2/c1-15-16(2)26(28)24-20-14-10-6-4-8-12-18-17-11-7-3-5-9-13-19(21(17)22(18)20)23(24)25(15)27/h17-20,23-24H,3-14H2,1-2H3/t17-,18-,19-,20+,23-,24+/m0/s1
InChIKey OELOHDCYJJLZQJ-VPOPLMJOSA-N
Mol Weight 380.6 g/mol
Molecular Formula C26H36O2
Exact Mass 380.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1m8myslx2q
Name (1.alpha.,2.alpha.,9.alpha.,12.beta.,19.alpha.,20.alpha.)-22,23-dimethylpentacyclo[18.4.0.0(2,10).0(9,12).0(11,19)]tetracosa-10,22 diene-21,24-dione
CAS Registry Number 129828-67-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O2
InChI InChI=1S/C26H36O2/c1-15-16(2)26(28)24-20-14-10-6-4-8-12-18-17-11-7-3-5-9-13-19(21(17)22(18)20)23(24)25(15)27/h17-20,23-24H,3-14H2,1-2H3/t17-,18-,19-,20+,23-,24+/m0/s1
InChIKey OELOHDCYJJLZQJ-VPOPLMJOSA-N
Molecular Weight 380.572 g/mol
SMILES C12=C3[C@]4(CCCCCC[C@]3([C@@]2(CCCCCC[C@@]1([C@]1([C@@]4(C(=O)C(=C(C1=O)C)C)[H])[H])[H])[H])[H])[H]
SPLASH splash10-001i-0009000000-f89bd9f3b279d9bfe136
Source of Spectrum K-124-154-0
Synonyms (3S,10R,11S,16R,17S,24S)-13,14-dimethylpentacyclo[15.7.0.0(2,10).0(3,24).0(11,16)]tetracosa-1,13-diene-12,15-dione
Wiley ID 1359995