(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S,6E,8S,9R,10E)-3,9-Dihydroxy-4,8-Dimethyl-5-Oxo-6,10-Dodecadien-2-Yl]-8,10-Dihydroxy-3,17-Dimethoxy-5,7,9,11,13-Pentamethyloxacyclooctadeca-3,5,13,15-Tetraen-2-One

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Properties Simple | Detailed

Formula C38H60O9
IUPAC Name (3z,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(2s,3r,4s,6e,8s,9r,10e)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
Molecular Mass 660.878 g·mol−1
Heat of Formation -1654.3 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 882.37 Å 3
Surface Area 643.78 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(1s,2r,3s,5e,7s,8r,9e)-2,8-dihydroxy-1,3,7-trimethyl-4-oxo-undeca-5,9-dienyl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
  • (3z,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(1s,2r,3s,5e,7s,8r,9e)-2,8-dihydroxy-1,3,7-trimethyl-4-oxoundeca-5,9-dienyl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
  • (3z,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(1s,2r,3s,5e,7s,8r,9e)-2,8-dihydroxy-4-keto-1,3,7-trimethyl-undeca-5,9-dienyl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
  • (3z,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(2s,3r,4s,6e,8s,9r,10e)-3,9-dihydroxy-4,8-dimethyl-5-oxo-dodeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
InChIKey QPGTXBRGXJNRGI-JZCZIURLSA-N
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