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2,5-[3',7',11-Trimethyl-1'-(isobut-1"'-enyl)trideca-3',7',11-triene-1',13-diyl]-2-acetoxy-6-hydroxy-(tetrahydro)-benzene-1,3,4-trione
SpectraBase Compound ID AbnncY7CEfj
InChI InChI=1S/C28H36O6/c1-17(2)15-22-16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-23-24(30)26(32)28(22,34-21(6)29)27(33)25(23)31/h9,12-13,15,22,30H,7-8,10-11,14,16H2,1-6H3/b18-9+,19-13+,20-12+/t22-,28+/m1/s1
InChIKey BFLVHVWVDWTKSG-CPNRULJGSA-N
Mol Weight 468.6 g/mol
Molecular Formula C28H36O6
Exact Mass 468.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFYHGBugzqT
Name 2,5-[3',7',11-Trimethyl-1'-(isobut-1"'-enyl)trideca-3',7',11-triene-1',13-diyl]-2-acetoxy-6-hydroxy-(tetrahydro)-benzene-1,3,4-trione
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Formula C28H36O6
InChI InChI=1S/C28H36O6/c1-17(2)15-22-16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-23-24(30)26(32)28(22,34-21(6)29)27(33)25(23)31/h9,12-13,15,22,30H,7-8,10-11,14,16H2,1-6H3/b18-9+,19-13+,20-12+/t22-,28+/m1/s1
InChIKey BFLVHVWVDWTKSG-CPNRULJGSA-N
Molecular Weight 468.590 g/mol
SMILES OC1=C2C\C=C\(CC\C=C\(CC\C=C\(C[C@]([C@](C1=O)(C(C2=O)=O)OC(=O)C)(C=C(C)C)[H])C)C)C
SPLASH splash10-066r-9682800000-95c94f28685cb937c599
Source of Spectrum G4-72-217-5
Synonyms 2-Acetoxy-rhizopogone
Wiley ID 1702083