13-Deoxytedanolide

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Formula C32H50O10
IUPAC Name (3r,4s,5s,7r,8r,9e,11s,15r,17r)-3,8-dihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
Molecular Mass 594.733 g·mol−1
Heat of Formation -1880.7 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 742.92 Å 3
Surface Area 501.47 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 3.32 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,7r,8r,9e,11s,15r,17r)-3,8-dihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]-2-oxiranyl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
  • (3r,4s,5s,7r,8r,9e,11s,15r,17r)-3,8-dihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-diquinone
  • (3r,4s,5s,7r,8r,9e,11s,15r,17r)-3,8-dihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
  • 13t
InChIKey YTOSLGBJMGPGPA-AYJAMTIUSA-N
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