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4.alpha.,10.alpha.-dihydroxy-1.beta.(H),5.beta.(H)-guai-11-(13)-en-8.beta.,12-olide
SpectraBase Compound ID KtiT80Z2usR
InChI InChI=1S/C15H22O4/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,18)7-12(9)19-13(8)16/h9-12,17-18H,1,4-7H2,2-3H3/t9-,10-,11+,12+,14-,15-/m1/s1
InChIKey WSMKPZGGGQUUQW-ZOMUANAPSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jm6vrnGxZcN
Name 4.alpha.,10.alpha.-dihydroxy-1.beta.(H),5.beta.(H)-guai-11-(13)-en-8.beta.,12-olide
Appearance Colorless oil
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Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,18)7-12(9)19-13(8)16/h9-12,17-18H,1,4-7H2,2-3H3/t9-,10-,11+,12+,14-,15-/m1/s1
InChIKey WSMKPZGGGQUUQW-ZOMUANAPSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np010388r
Molecular Weight 266.337 g/mol
Optical Rotation [a]D25 = -6.38 (c = 0.5, 1:1)
Reported Formula C15H22O4
SMILES O[C@@]1(CC[C@]2([C@@](C[C@@]3(OC(C([C@]3(C[C@]12[H])[H])=C)=O)[H])(O)C)[H])C
SPLASH splash10-0005-9340000000-cd0686d84b03cf1f7f4f
Source of Spectrum G4-65-584-2
Wiley ID 1881082