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(5a.alpha.,5b.beta.,12a.alpha.,12b.alpha.)-5a,5b,11,12,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,6-dione

View entire compound with spectra: 1 MS (GC)

(5a.alpha.,5b.beta.,12a.alpha.,12b.alpha.)-5a,5b,11,12,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,6-dione
SpectraBase Compound ID 8Px1UsV3Un
InChI InChI=1S/C22H20O2/c23-21-15-7-3-1-5-13(15)9-11-17-18-12-10-14-6-2-4-8-16(14)22(24)20(18)19(17)21/h1-8,17-20H,9-12H2/t17-,18+,19-,20-/m1/s1
InChIKey OXVYKRXSALDCDN-IYWMVGAKSA-N
Mol Weight 316.4 g/mol
Molecular Formula C22H20O2
Exact Mass 316.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UyXpOaDQka
Name (5a.alpha.,5b.beta.,12a.alpha.,12b.alpha.)-5a,5b,11,12,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,6-dione
CAS Registry Number 72028-85-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O2
InChI InChI=1S/C22H20O2/c23-21-15-7-3-1-5-13(15)9-11-17-18-12-10-14-6-2-4-8-16(14)22(24)20(18)19(17)21/h1-8,17-20H,9-12H2/t17-,18+,19-,20-/m1/s1
InChIKey OXVYKRXSALDCDN-IYWMVGAKSA-N
Molecular Weight 316.400 g/mol
SMILES [C@@]12([C@@]3(C(c4c(cccc4)CC[C@]3([C@]1(CCc1c(C2=O)cccc1)[H])[H])=O)[H])[H]
SPLASH splash10-06dl-2901000000-fefa7ded432795a70610
Source of Spectrum J-44-4756-0
Synonyms (6aR,6bS,13aR,13bR)-5,6,6a,6b,7,8,13a,13b-octahydrobenzo[a]benzo[4',5']cyclohepta[1',2':3,4]cyclobuta[1,2-d]cycloheptene-13,14-dione
Wiley ID 1317345