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(3.alpha.,4a.beta.,5.beta.,8a.alpha.)-(+-)-3-(Acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-4a,7,7-trimethyl-5-[(methylsulfonyl)oxy]-1(2H)-naphthalenone

View entire compound with spectra: 1 MS (GC)

(3.alpha.,4a.beta.,5.beta.,8a.alpha.)-(+-)-3-(Acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-4a,7,7-trimethyl-5-[(methylsulfonyl)oxy]-1(2H)-naphthalenone
SpectraBase Compound ID DARCOw4o9Y8
InChI InChI=1S/C16H26O6S/c1-10(17)21-11-6-13(18)12-8-15(2,3)9-14(16(12,4)7-11)22-23(5,19)20/h11-12,14H,6-9H2,1-5H3/t11-,12-,14-,16-/m1/s1
InChIKey KCMBZSJOLLZSAY-ZNEHSRBWSA-N
Mol Weight 346.44 g/mol
Molecular Formula C16H26O6S
Exact Mass 346.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eyPomyqV6u
Name (3.alpha.,4a.beta.,5.beta.,8a.alpha.)-(+-)-3-(Acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-4a,7,7-trimethyl-5-[(methylsulfonyl)oxy]-1(2H)-naphthalenone
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Formula C16H26O6S
InChI InChI=1S/C16H26O6S/c1-10(17)21-11-6-13(18)12-8-15(2,3)9-14(16(12,4)7-11)22-23(5,19)20/h11-12,14H,6-9H2,1-5H3/t11-,12-,14-,16-/m1/s1
InChIKey KCMBZSJOLLZSAY-ZNEHSRBWSA-N
Molecular Weight 346.438 g/mol
SMILES [C@]12([C@@](C(=O)C[C@](C2)(OC(=O)C)[H])(CC(C[C@]1(OS(=O)(=O)C)[H])(C)C)[H])C
SPLASH splash10-0006-2900000000-0066bf8e70d855e6f41b
Source of Spectrum J-63-127-14
Synonyms (2S,4aS,8R,8aR)-6,6,8a-trimethyl-8-[(methylsulfonyl)oxy]-4-oxodecahydro-2-naphthalenyl acetate
Wiley ID 1339002