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(1.alpha.,4.alpha.,5.alpha.,6.alpha.,7.alpha.,10.alpha.,11.alpha.,12.alpha.)-5,6,11,12-tetraacetyldibenzo[b,h]tricyclo[8.2.0.0(4,7)]dodecane

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(1.alpha.,4.alpha.,5.alpha.,6.alpha.,7.alpha.,10.alpha.,11.alpha.,12.alpha.)-5,6,11,12-tetraacetyldibenzo[b,h]tricyclo[8.2.0.0(4,7)]dodecane
SpectraBase Compound ID 9yTZVUzUiEi
InChI InChI=1S/C28H28O4/c1-13(29)21-22(14(2)30)26-19-11-7-8-12-20(19)28-24(16(4)32)23(15(3)31)27(28)18-10-6-5-9-17(18)25(21)26/h5-12,21-28H,1-4H3/t21-,22+,23+,24-,25+,26-,27-,28+
InChIKey CTTOBIMPRYIZKT-ASRQVDMOSA-N
Mol Weight 428.53 g/mol
Molecular Formula C28H28O4
Exact Mass 428.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I51C1Zfg50e
Name (1.alpha.,4.alpha.,5.alpha.,6.alpha.,7.alpha.,10.alpha.,11.alpha.,12.alpha.)-5,6,11,12-tetraacetyldibenzo[b,h]tricyclo[8.2.0.0(4,7)]dodecane
Alternate Name(s) 1-[(1R,2S,2aR,6bS,7R,8S,8aR,12bS)-2,7,8-triacetyl-1,2,2a,6b,7,8,8a,12b-octahydrodibenzo[a,e]dicyclobuta[c,g]cycloocten-1-yl]ethanone
CAS Registry Number 116050-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O4
InChI InChI=1S/C28H28O4/c1-13(29)21-22(14(2)30)26-19-11-7-8-12-20(19)28-24(16(4)32)23(15(3)31)27(28)18-10-6-5-9-17(18)25(21)26/h5-12,21-28H,1-4H3/t21-,22+,23+,24-,25+,26-,27-,28+
InChIKey CTTOBIMPRYIZKT-ASRQVDMOSA-N
Molecular Weight 428.528 g/mol
SMILES [C@@]12([C@@](c3c(cccc3)[C@@]3([C@](c4c1cccc4)([C@]([C@]3(C(=O)C)[H])(C(=O)C)[H])[H])[H])([H])[C@]([C@]2(C(=O)C)[H])(C(=O)C)[H])[H]
SPLASH splash10-000f-9336000000-bcb8611335fed228dd51
Source of Spectrum K-121-2143-19
Wiley ID 1380856