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Polycerasoidol-4"-acetate

View entire compound with spectra: 2 MS (GC)

Polycerasoidol-4"-acetate
SpectraBase Compound ID 4SEPZ1wQHS7
InChI InChI=1S/C24H32O5/c1-16(8-6-10-17(2)23(26)27)9-7-12-24(5)13-11-20-15-21(28-19(4)25)14-18(3)22(20)29-24/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,26,27)/b16-9+,17-10-
InChIKey BLFJPNOHJKKROE-IPPJXQLGSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ibh5qLHBNH
Name Polycerasoidol-4"-acetate
Alternate Name(s) Isopolycerasoidol-4''-acetate (2Z,6E)-9-(6-acetyloxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-2,6-dimethylnona-2,6-dienoic acid (2Z,6E)-9-(6-acetyloxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethylnona-2,6-dienoic acid (2Z,6E)-9-(6-acetyloxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6-dimethyl-nona-2,6-dienoic acid
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Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-16(8-6-10-17(2)23(26)27)9-7-12-24(5)13-11-20-15-21(28-19(4)25)14-18(3)22(20)29-24/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,26,27)/b16-9+,17-10-
InChIKey BLFJPNOHJKKROE-IPPJXQLGSA-N
Molecular Weight 400.515 g/mol
SMILES OC(\C(=C/CC\C(=C\CCC1(Oc2c(cc(cc2C)OC(=O)C)CC1)C)C)C)=O
SPLASH splash10-0aor-7933300000-7781fcf50ac6db850efc
Source of Spectrum O1-57-532-2
Wiley ID 1591463