(3R,4S,5S)-5-[(6E,8E,10S)-13-(3-Furyl)-6,10-Dimethyl-2-Methylene-6,8-Tridecadien-1-Yl]-4-Hydroxy-3-Methyldihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C25H36O4
IUPAC Name (3r,4s,5s)-5-[(6e,8e,10s)-13-(3-furyl)-6,10-dimethyl-2-methylene-trideca-6,8-dienyl]-4-hydroxy-3-methyl-tetrahydrofuran-2-one
Molecular Mass 400.551 g·mol−1
Heat of Formation -679.4 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 542.99 Å 3
Surface Area 390.63 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s)-5-[(10s)-13-(3-furyl)-6,10-dimethyl-2-methylene-trideca-6,8-dienyl]-4-hydroxy-3-methyl-tetrahydrofuran-2-one
  • (3r,4s,5s)-5-[(10s)-13-(3-furyl)-6,10-dimethyl-2-methylenetrideca-6,8-dienyl]-4-hydroxy-3-methyl-2-tetrahydrofuranone
  • (3r,4s,5s)-5-[(10s)-13-furan-3-yl-6,10-dimethyl-2-methylidene-trideca-6,8-dienyl]-4-hydroxy-3-methyl-oxolan-2-one
  • (3r,4s,5s)-5-[(10s)-13-furan-3-yl-6,10-dimethyl-2-methylidenetrideca-6,8-dienyl]-4-hydroxy-3-methyloxolan-2-one
  • (3r,4s,5s)-5-[(6e,8e,10s)-13-(3-furyl)-6,10-dimethyl-2-methylene-trideca-6,8-dienyl]-4-hydroxy-3-methyl-tetrahydrofuran-2-one
  • (3r,4s,5s)-5-[(6e,8e,10s)-13-(3-furyl)-6,10-dimethyl-2-methylenetrideca-6,8-dienyl]-4-hydroxy-3-methyl-2-tetrahydrofuranone
  • (3r,4s,5s)-5-[(6e,8e,10s)-13-furan-3-yl-6,10-dimethyl-2-methylidene-trideca-6,8-dienyl]-4-hydroxy-3-methyl-oxolan-2-one
  • (3r,4s,5s)-5-[(6e,8e,10s)-13-furan-3-yl-6,10-dimethyl-2-methylidenetrideca-6,8-dienyl]-4-hydroxy-3-methyloxolan-2-one
  • okinonellin b
InChIKey RJBUJQUSGFZAMF-ZGKSJMQASA-N
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