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acetic acid [(1S,2S,4aS,8aS)-1-(acetoxymethyl)-5,5,8a-trimethyl-decalin-2-yl] ester
SpectraBase Compound ID KHTPPvynOnC
InChI InChI=1S/C18H30O4/c1-12(19)21-11-14-15(22-13(2)20)7-8-16-17(3,4)9-6-10-18(14,16)5/h14-16H,6-11H2,1-5H3/t14-,15-,16-,18+/m0/s1
InChIKey OQQKGRMBCSOPSZ-NBOOPKSLSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1B3e30TTnaf
Name acetic acid [(1S,2S,4aS,8aS)-1-(acetoxymethyl)-5,5,8a-trimethyl-decalin-2-yl] ester
Compound Number 10
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Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-12(19)21-11-14-15(22-13(2)20)7-8-16-17(3,4)9-6-10-18(14,16)5/h14-16H,6-11H2,1-5H3/t14-,15-,16-,18+/m0/s1
InChIKey OQQKGRMBCSOPSZ-NBOOPKSLSA-N
Literature Reference Author V.J.PAUL,Y.SEO,K.W.CHO,J.R.RHO,J.SHIN,P.R.BERGQUIST
Literature Reference Citation J.NAT.PROD.,60,1115(1997)
Literature Reference DOI 10.1021/np9703297
Molecular Weight 310.434 g/mol
Solvent CDCl3
Source File Reference WANG561