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(14S)-(2E,6E,10E)-17,20-Dihydroxy-14-(alpha-hydroxyisopropyl)-3,7,11-trimethyl[14](2,5)benzchinonophan-2,6,10-triene
SpectraBase Compound ID J9cosw0MdbY
InChI InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,20,27,30-31H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m0/s1
InChIKey LMPXRFSQUGGHBD-YAYCPBPMSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6o2upzYq4N
Name (14S)-(2E,6E,10E)-17,20-Dihydroxy-14-(alpha-hydroxyisopropyl)-3,7,11-trimethyl[14](2,5)benzchinonophan-2,6,10-triene
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Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,20,27,30-31H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m0/s1
InChIKey LMPXRFSQUGGHBD-YAYCPBPMSA-N
Molecular Weight 428.569 g/mol
SMILES OC1=C2C(C(=C(C1=O)C\C=C\(CC\C=C\(CC\C=C\(CC[C@@]2(C(C)(C)O)[H])C)C)C)O)=O
SPLASH splash10-03di-0023900000-36acbe6a460aca65aefd
Source of Spectrum K-108-3690-6a
Synonyms Secotridentochinone (S,1E,3E,7E,11E)-18,20-dihydroxy-15-(2-hydroxypropan-2-yl)-4,8,12-trimethylbicyclo[14.2.2]icosa-1(18),3,7,11,16(20)-pentaene-17,19-dione
Wiley ID 1793844