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4.beta.,10.beta.-dihydroxy-1.alpha.(H),5.alpha.(H)-guai-11(13)-en-8.alpha.,12-olide
SpectraBase Compound ID 35VViE08Suq
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-ACBLYQCWSA-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 3hdFGe6VzSK
Name 4.beta.,10.beta.-dihydroxy-1.alpha.(H),5.alpha.(H)-guai-11(13)-en-8.alpha.,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-ACBLYQCWSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np010388r
Molecular Weight 266.337 g/mol
Optical Rotation [a]D25 = -16.5 (c = 1.0, MeOH)
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 splash10-000t-9210000000-4e76a1bd92467f49e805
Source of Spectrum G4-65-584-1
Wiley ID 1881081