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(1R,3S,4S,5S,10R,11R)-1-Hydroxy-7-oxolongipin-8- ene
SpectraBase Compound ID CPKu1nj1mV5
InChI InChI=1S/C15H22O2/c1-8-7-9(16)12-13-11(8)15(12,4)6-5-10(17)14(13,2)3/h5-6,8-9,11-13,16H,7H2,1-4H3/t8-,9+,11-,12+,13-,15+/m0/s1
InChIKey KTPIWAXWEYNUPP-ZVSMKJGCSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCumYreKnr5
Name (1R,3S,4S,5S,10R,11R)-1-Hydroxy-7-oxolongipin-8- ene
Appearance White solid
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-8-7-9(16)12-13-11(8)15(12,4)6-5-10(17)14(13,2)3/h5-6,8-9,11-13,16H,7H2,1-4H3/t8-,9+,11-,12+,13-,15+/m0/s1
InChIKey KTPIWAXWEYNUPP-ZVSMKJGCSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 234.339 g/mol
Optical Rotation [a]D = -2 (589 nm), -2 (578 nm), -2 (546 nm), -13 (436 nm), -83 (365 nm) (c = 0.10, CHCl3)
Reported Formula C15H22O2
SMILES O[C@]1([C@@]2([H])[C@]3(C)C=CC(=O)C(C)(C)[C@@]2([H])[C@]3([H])[C@@](C)(C1)[H])[H]
SPLASH splash10-014i-4900000000-112b499f450f579183b5
Source of Spectrum G4-65-1410-27
Wiley ID 1883387