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JUNCEOL-A

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JUNCEOL-A
SpectraBase Compound ID 4xxxOlS95js
InChI InChI=1S/C17H28O3/c1-11-6-7-15(19)17(5)9-8-13(10-14(11)17)16(3,4)20-12(2)18/h10-11,13,15,19H,6-9H2,1-5H3/t11-,13+,15+,17+/m0/s1
InChIKey FORUHHDUOITCNL-BYMSMCERSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wg7wDX905W
Name 2-[(2R,4aR,5R,8S)-4a,8-dimethyl-5-oxidanyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-yl ethanoate
Alternate Name(s) 2-[(2R,4aR,5R,8S)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-yl acetate Acetic acid 2-[(2R,4aR,5R,8S)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-yl ester Junceol A [1-[(2R,4aR,5R,8S)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]-1-methyl-ethyl] acetate
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Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-11-6-7-15(19)17(5)9-8-13(10-14(11)17)16(3,4)20-12(2)18/h10-11,13,15,19H,6-9H2,1-5H3/t11-,13+,15+,17+/m0/s1
InChIKey FORUHHDUOITCNL-BYMSMCERSA-N
Molecular Weight 280.408 g/mol
SMILES O[C@]1([C@]2(C(=C[C@](C(OC(=O)C)(C)C)(CC2)[H])[C@](CC1)(C)[H])C)[H]
SPLASH splash10-0006-9110000000-789f018ca20f56c96db6
Source of Spectrum G4-64-1242-1
Wiley ID 1609197