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(12S)-15,16-Epoxy-12-hydroxylabda-7,13(16),14-triene
SpectraBase Compound ID KO7CVSDcYHp
InChI InChI=1S/C20H30O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(21)15-8-11-22-13-15/h6,8,11,13,16-18,21H,5,7,9-10,12H2,1-4H3/t16-,17-,18-,20+/m0/s1
InChIKey KFBPDAGBYLQWMU-CGBFIWBNSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2iHgULqDb9
Name (12S)-15,16-Epoxy-12-hydroxylabda-7,13(16),14-triene
Appearance oil
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Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(21)15-8-11-22-13-15/h6,8,11,13,16-18,21H,5,7,9-10,12H2,1-4H3/t16-,17-,18-,20+/m0/s1
InChIKey KFBPDAGBYLQWMU-CGBFIWBNSA-N
Instrument Name Hewlett-Packard HP 5989A
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np010590u
Molecular Weight 302.458 g/mol
Optical Rotation [a]D21 = -18.6 (c = 0.200, CHCl3)
SMILES O[C@@](C[C@]1(C(=CC[C@]2(C(CCC[C@]12C)(C)C)[H])C)[H])(c1cocc1)[H]
SPLASH splash10-07be-9610000000-b50d1a9b5246973778d8
Source of Spectrum G4-65-666-16
Wiley ID 1883646