(1R,2R)-2-[(2R,4E,6Z,8R,9S,11R,13S,15S,16S)-7-Cyano-8,16-Dihydroxy-9,11,13,15-Tetramethyl-18-Oxooxacyclooctadeca-4,6-Dien-2-Yl]Cyclopentanecarboxylic Acid

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Formula C28H43NO6
IUPAC Name (1r,2r)-2-[(4r,6s)-6-[3-cyano-4-[(1s,3r,5s,7s)-1,3,5,7-tetramethyl-8-oxo-octoxy]but-1-ynyl]-2-methylene-1,3-dioxan-4-yl]cyclopentanecarboxylic acid
Molecular Mass 489.644 g·mol−1
Heat of Formation -1243.0 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 614.1 Å 3
Surface Area 422.56 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-2-[(2r,4e,6z,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-18-keto-9,11,13,15-tetramethyl-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
  • (1r,2r)-2-[(2r,4e,6z,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]-1-cyclopentanecarboxylic acid
  • (1r,2r)-2-[(2r,4e,6z,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
InChIKey OJCKRNPLOZHAOU-JTHVHBRGSA-N
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