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2(1H)-Naphthalenone, 6-(acetyloxy)octahydro-5,5,8a-trimethyl-1-(3-oxobutyl)-, [1R-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-
SpectraBase Compound ID BFbf5N05Thb
InChI InChI=1S/C19H30O4/c1-12(20)6-7-14-15(22)8-9-16-18(3,4)17(23-13(2)21)10-11-19(14,16)5/h14,16-17H,6-11H2,1-5H3/t14-,16-,17-,19+/m1/s1
InChIKey SSKIJPUYVRBNIK-MYZZLAAOSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8KZBx6LEF3
Name 2(1H)-Naphthalenone, 6-(acetyloxy)octahydro-5,5,8a-trimethyl-1-(3-oxobutyl)-, [1R-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]-
Alternate Name(s) (2R,4aR,5S,8aS)-1,1,4a-trimethyl-6-oxo-5-(3-oxobutyl)decahydro-2-naphthalenyl acetate 6.alpha.-acetoxy-2-oxo-1.alpha.-(3-oxo-n-butyl)-5,5,8a.alpha.-trimethyl-4a.beta.-perhydronapthalene
CAS Registry Number 63399-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-12(20)6-7-14-15(22)8-9-16-18(3,4)17(23-13(2)21)10-11-19(14,16)5/h14,16-17H,6-11H2,1-5H3/t14-,16-,17-,19+/m1/s1
InChIKey SSKIJPUYVRBNIK-MYZZLAAOSA-N
Molecular Weight 322.445 g/mol
SMILES [C@]12([C@@](C(C)(C)[C@@](CC2)(OC(=O)C)[H])(CCC([C@]1(CCC(=O)C)[H])=O)[H])C
SPLASH splash10-059g-5769000000-96680142ae101d6f3523
Source of Spectrum F-33-149-0
Wiley ID 1321832