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(+)-15,16-Epoxy-8(17),13(16),14-labdatriene
SpectraBase Compound ID ItRM6k7WGfX
InChI InChI=1S/C20H30O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18-,20+/m0/s1
InChIKey HCVGSAYVFIXWSS-CMKODMSKSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XPznfmOcmz
Name (+)-15,16-Epoxy-8(17),13(16),14-labdatriene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18-,20+/m0/s1
InChIKey HCVGSAYVFIXWSS-CMKODMSKSA-N
Instrument Name Varian Saturn GC/MS 2000
Ionization Type EI
Literature Reference DOI 10.1021/np030166o
Molecular Weight 286.459 g/mol
Optical Rotation [a]D24 = +23 (c = 2.0, CHCl3)
SMILES C1C[C@]2([C@](C(C1)(C)C)(CCC([C@@]2(CCc1cocc1)[H])=C)[H])C
SPLASH splash10-000b-9320000000-0c1d99a79a5d1baceecf
Source of Spectrum G4-66-1626-2
Wiley ID 1883927