(4S,7R,8S,9S,13E,16S)-4,8-Dihydroxy-5,5,7,9,13-Pentamethyl-16-[(1E)-1-(2-Methyl-1,3-Thiazol-4-Yl)-1-Propen-2-Yl]Oxacyclohexadec-13-Ene-2,6-Dione

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Formula C27H41NO5S
IUPAC Name (4s,7r,8s,9s,13e,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
Molecular Mass 491.683 g·mol−1
Heat of Formation -1002.7 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 612.71 Å 3
Surface Area 458.64 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,7r,8s,9s,13e,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
  • (4s,7r,8s,9s,13e,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
  • (4s,7r,8s,9s,13e,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
  • (4s,7r,8s,9s,13e,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone
  • (e)-desoxyepothilone b
  • trans-epo d
  • trans-epothilone d
InChIKey XOZIUKBZLSUILX-SKHVSTCVSA-N
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