(2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-8-[(1E,3E)-4-Carboxy-3-Methyl-1,3-Butadien-1-Yl]-3,9-Dimethyl-1,7-Dioxaspiro[5.5]Undec-2-Yl}-5-Hydroxy-4,8-Dimethyl-2,6,8-Decatrienoic Acid

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Properties Simple | Detailed

Formula C29H42O7
IUPAC Name (2e,4s,5s,6e,8e)-10-[(2r,3s,6s,8r,9s)-2-[(1e,3e)-4-carboxy-3-methyl-buta-1,3-dienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyl-deca-2,6,8-trienoic acid
Molecular Mass 502.640 g·mol−1
Heat of Formation -1320.2 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 657.69 Å 3
Surface Area 479.12 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4s,5s,6e,8e)-5-hydroxy-10-[(2r,3s,6s,8r,9s)-8-[(1e,3e)-5-hydroxy-3-methyl-5-oxo-penta-1,3-dienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,8-dimethyl-deca-2,6,8-trienoic acid
  • (2e,4s,5s,6e,8e)-5-hydroxy-10-[(2r,3s,6s,8r,9s)-8-[(1e,3e)-5-hydroxy-3-methyl-5-oxopenta-1,3-dienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,8-dimethyldeca-2,6,8-trienoic acid
  • (2e,4s,5s,6e,8e)-5-hydroxy-10-[(2r,3s,6s,8r,9s)-8-[(1e,3e)-5-hydroxy-5-keto-3-methyl-penta-1,3-dienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,8-dimethyl-deca-2,6,8-trienoic acid
InChIKey ZUPXAYGYALHVSA-ZTRNFXHBSA-N
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