Epothilone D

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Properties Simple | Detailed

Formula C27H42NO5S
IUPAC Name (4s,7r,8s,9s,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-3-ium-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
Molecular Mass 492.691 g·mol−1
Heat of Formation -992.9 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 621.75 Å 3
Surface Area 467.29 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,7r,8s,9s,13z,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,13z,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,13z,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,13z,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
  • (4s,7r,8s,9s,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
  • (4s,7r,8s,9s,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
  • (4s,7r,8s,9s,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
  • (4s,7r,8s,9s,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone
  • 12,13-desoxy-epothilone b
  • biologically synthesized epothilone d
  • depob
  • desoxyepothilone b
  • epd
  • lmpk03000001
  • z-12,13-desoxyepothilone b
CAS Number(s)
  • 189453-10-9
InChIKey XOZIUKBZLSUILX-GIQCAXHBSA-N
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