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Dicyclopenta[a,e]pentalene-3,4-dione, 6-(diphenylmethylene)-3a,3b,4a,5,6,7,7a,7b,8,8a-decahydro-2,3b-dimethyl-, (3a.alpha.,3b.beta.,4a.alpha.,7a.alpha.,7b.beta.,8a.alpha.)-
SpectraBase Compound ID AEwquIUTiBx
InChI InChI=1S/C29H28O2/c1-17-13-21-16-24-22-14-20(15-23(22)28(31)29(24,2)26(21)27(17)30)25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,21-24,26H,14-16H2,1-2H3/t21-,22-,23+,24+,26+,29-/m1/s1
InChIKey SXWOUFWUULSJHL-XPPPDCQFSA-N
Mol Weight 408.54 g/mol
Molecular Formula C29H28O2
Exact Mass 408.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0Dt2ArHTyP
Name Dicyclopenta[a,e]pentalene-3,4-dione, 6-(diphenylmethylene)-3a,3b,4a,5,6,7,7a,7b,8,8a-decahydro-2,3b-dimethyl-, (3a.alpha.,3b.beta.,4a.alpha.,7a.alpha.,7b.beta.,8a.alpha.)-
CAS Registry Number 117053-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O2
InChI InChI=1S/C29H28O2/c1-17-13-21-16-24-22-14-20(15-23(22)28(31)29(24,2)26(21)27(17)30)25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,21-24,26H,14-16H2,1-2H3/t21-,22-,23+,24+,26+,29-/m1/s1
InChIKey SXWOUFWUULSJHL-XPPPDCQFSA-N
Molecular Weight 408.541 g/mol
SMILES [C@@]12(C([C@]3(CC(C[C@]3([C@@]2(C[C@@]2([C@]1(C(C(C)=C2)=O)[H])[H])[H])[H])=C(c1ccccc1)c1ccccc1)[H])=O)C
SPLASH splash10-0ar1-1950400000-c6696b2e9123c9dfe39b
Source of Spectrum H-71-366-4
Synonyms (3aR,3bR,4aS,7aS,7bS,8aS)-6-(diphenylmethylene)-2,3b-dimethyl-3a,3b,4a,5,6,7,7a,7b,8,8a-decahydrodicyclopenta[a,e]pentalene-3,4-dione rel-(1R,2R,6S,8S,9S,13S)-11-(diphenylmethylidene)-1,4-dimethyltetracyclo[6.6.0.0(2,6).0(9,13)]tetradec-4-en-3,14-dione
Wiley ID 1373183