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4H-Cyclobuta[de]naphthalen-4-one, 1-[(acetyloxy)methyl]-1,1a,4a,5,6,7,7a,7b-octahydro-2,5-dimethyl-1-(4 -methylpentyl)-, [1R-(1.alpha.,1a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)]-

View entire compound with spectra: 1 MS (GC)

4H-Cyclobuta[de]naphthalen-4-one, 1-[(acetyloxy)methyl]-1,1a,4a,5,6,7,7a,7b-octahydro-2,5-dimethyl-1-(4 -methylpentyl)-, [1R-(1.alpha.,1a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)]-
SpectraBase Compound ID 8KZZTSPqxeB
InChI InChI=1S/C22H34O3/c1-13(2)7-6-10-22(12-25-16(5)23)17-9-8-14(3)19-18(24)11-15(4)21(22)20(17)19/h11,13-14,17,19-21H,6-10,12H2,1-5H3/t14-,17?,19-,20?,21+,22+/m0/s1
InChIKey ZAIARLLZTGCPHY-VQKZDNGQSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rT6rbd32Js
Name 4H-Cyclobuta[de]naphthalen-4-one, 1-[(acetyloxy)methyl]-1,1a,4a,5,6,7,7a,7b-octahydro-2,5-dimethyl-1-(4 -methylpentyl)-, [1R-(1.alpha.,1a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)]-
CAS Registry Number 77982-22-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-13(2)7-6-10-22(12-25-16(5)23)17-9-8-14(3)19-18(24)11-15(4)21(22)20(17)19/h11,13-14,17,19-21H,6-10,12H2,1-5H3/t14-,17?,19-,20?,21+,22+/m0/s1
InChIKey ZAIARLLZTGCPHY-VQKZDNGQSA-N
Molecular Weight 346.511 g/mol
SMILES [C@]1([C@@]2(C(=CC([C@]3(C2C1CC[C@@]3(C)[H])[H])=O)C)[H])(COC(=O)C)CCCC(C)C
SPLASH splash10-052r-0900000000-f1eb9c522bd80047713f
Source of Spectrum F-36-3258-0
Synonyms 18-Acetoxy-decipi-14-en-13-one [(1R,4S,4aR,7aS)-4,7-dimethyl-1-(4-methylpentyl)-5-oxo-1a,2,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[de]naphthalen-1-yl]methyl acetate
Wiley ID 1339614