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(1R*,3R*)-3-hydroxydolabella-4(16),7,11(12)-triene-3,13-dione
SpectraBase Compound ID 5msOAfCtjx7
InChI InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,13,17,21H,4,6,8-12H2,1-3,5H3/b14-7+/t17-,20+/m1/s1
InChIKey XVLUZPKWCBLGKQ-AZDFAVSGSA-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 L1wrpvy8Lxv
Name (1R*,3R*)-3-hydroxydolabella-4(16),7,11(12)-triene-3,13-dione
Appearance Colorless oil
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Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,13,17,21H,4,6,8-12H2,1-3,5H3/b14-7+/t17-,20+/m1/s1
InChIKey XVLUZPKWCBLGKQ-AZDFAVSGSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np010106n
Molecular Weight 302.458 g/mol
Optical Rotation [a]D25 = +76.1 (c = 0.08, CHCl3)
Reported Formula C20H30O2
SMILES O[C@]1(C(CC\C=C\(CCC2=C(C(C[C@@]2(C1)C)=O)C(C)C)C)=C)[H]
SPLASH splash10-0a4r-4920000000-283a159039fac3cf8984
Source of Spectrum G4-64-1031-5
Wiley ID 1883304