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(1R,3S,4S,5S,10R,11R)-1-Hydroxy-9-oxolongipin-7-ene
SpectraBase Compound ID BWIDJ9GgA4c
InChI InChI=1S/C15H22O2/c1-8-7-9(16)12-13-11(8)15(12,4)10(17)5-6-14(13,2)3/h5-6,8-9,11-13,16H,7H2,1-4H3/t8-,9+,11-,12+,13-,15+/m0/s1
InChIKey PVTIDVBFESOEDC-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 6jWJn3oxVJu
Name (1R,3S,4S,5S,10R,11R)-1-Hydroxy-9-oxolongipin-7-ene
Appearance Colorless crystals
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-8-7-9(16)12-13-11(8)15(12,4)10(17)5-6-14(13,2)3/h5-6,8-9,11-13,16H,7H2,1-4H3/t8-,9+,11-,12+,13-,15+/m0/s1
InChIKey PVTIDVBFESOEDC-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 = +7 (589 nm), +7 (578 nm), +7 (546 nm), -7 (436 nm), -168 (365 nm) (c = 0.15, EtOH)
Reported Formula C15H22O2
SMILES O[C@@]1(C[C@@]([C@]2([C@]3([C@@]1([C@@]2(C(C=CC3(C)C)=O)C)[H])[H])[H])(C)[H])[H]
SPLASH splash10-0awk-4900000000-5c04509149c8c8d1d5ba
Source of Spectrum G4-65-1407-22
Wiley ID 1883384