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4H-Cyclobuta[de]naphthalen-4-one, 1-[(acetyloxy)methyl]-1-[5-(acetyloxy)-4-methylpentyl]-1,1a,4a,5,6,7, 7a,7b-octahydro-2,5-dimethyl-, [1R-[1.alpha.,1(R*),1a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.]]-
SpectraBase Compound ID 8dR4PllYkzb
InChI InChI=1S/C24H36O5/c1-14(12-28-17(4)25)7-6-10-24(13-29-18(5)26)19-9-8-15(2)21-20(27)11-16(3)23(24)22(19)21/h11,14-15,19,21-23H,6-10,12-13H2,1-5H3/t14?,15-,19+,21+,22+,23-,24-/m1/s1
InChIKey ABPSQKVVJDTGTL-VHZCHGJUSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0I2WQvWK0D
Name 4H-Cyclobuta[de]naphthalen-4-one, 1-[(acetyloxy)methyl]-1-[5-(acetyloxy)-4-methylpentyl]-1,1a,4a,5,6,7, 7a,7b-octahydro-2,5-dimethyl-, [1R-[1.alpha.,1(R*),1a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.]]-
CAS Registry Number 79399-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-14(12-28-17(4)25)7-6-10-24(13-29-18(5)26)19-9-8-15(2)21-20(27)11-16(3)23(24)22(19)21/h11,14-15,19,21-23H,6-10,12-13H2,1-5H3/t14?,15-,19+,21+,22+,23-,24-/m1/s1
InChIKey ABPSQKVVJDTGTL-VHZCHGJUSA-N
Molecular Weight 404.547 g/mol
SMILES [C@]1([C@@]2(C(=CC([C@]3([C@@]2([C@@]1(CC[C@]3(C)[H])[H])[H])[H])=O)C)[H])(COC(=O)C)CCCC(COC(=O)C)C
SPLASH splash10-000i-0900000000-c9aaaf8bd5e2cbaec908
Source of Spectrum F-37-385-0
Synonyms 1,18-Diacetoxy-13-oxodecipi-14-ene 5-{(1R,1aS,4R,4aR,7aS,7bR)-1-[(acetyloxy)methyl]-4,7-dimethyl-5-oxo-1a,2,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[de]naphthalen-1-yl}-2-methylpentyl acetate
Wiley ID 1371431