(−)-Epothilone A

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Formula C26H39NO6S
IUPAC Name (1s,3s,7s,10r,11s,12s,16r)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Mass 493.656 g·mol−1
Heat of Formation -1029.9 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 607.92 Å 3
Surface Area 461.16 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-epothilone a
  • (-)-epothilone a
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(e)-1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone
  • (1s,3s,7s,10r,11s,12s,16r)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1e)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
  • ep
  • epoa
  • epothilon a
  • epothilone a
  • epothilones
  • lmpk01000045
InChIKey HESCAJZNRMSMJG-KKQRBIROSA-N
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