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(1.alpha.,2.alpha.,3.alpha.,6.alpha.,7.alpha.,8.alpha.,9.beta.,14.beta.)-4,5-Benzo-3'-hydroxypentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadec-4-ene-10,13-dione
SpectraBase Compound ID LuEsuPcY7Sx
InChI InChI=1S/C20H20O3/c21-13-3-1-2-8-9-6-10(16(8)13)18-12-7-11(17(9)18)19-14(22)4-5-15(23)20(12)19/h1-3,9-12,17-21H,4-7H2/t9-,10+,11+,12-,17+,18+,19+,20-/m1/s1
InChIKey HEIAUXZGQSAMPS-YARZVOBESA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42dQCLhs9Cc
Name (1.alpha.,2.alpha.,3.alpha.,6.alpha.,7.alpha.,8.alpha.,9.beta.,14.beta.)-4,5-Benzo-3'-hydroxypentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadec-4-ene-10,13-dione
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Formula C20H20O3
InChI InChI=1S/C20H20O3/c21-13-3-1-2-8-9-6-10(16(8)13)18-12-7-11(17(9)18)19-14(22)4-5-15(23)20(12)19/h1-3,9-12,17-21H,4-7H2/t9-,10+,11+,12-,17+,18+,19+,20-/m1/s1
InChIKey HEIAUXZGQSAMPS-YARZVOBESA-N
Molecular Weight 308.377 g/mol
SMILES Oc1c2c([C@@]3([C@@]4([C@]([C@]5(C[C@@]4([C@@]4([C@]5(C(=O)CCC4=O)[H])[H])[H])[H])([C@]2(C3)[H])[H])[H])[H])ccc1
SPLASH splash10-0a59-0914000000-6af4112548aa762dec43
Source of Spectrum QA-41-14-40
Wiley ID 861767