Epothilone A

CAS Registry Number®

152044-53-6

CAS Name

Epothilone A

Molecular Formula

C26H39NO6S

Molecular Mass

493.66

Cite this Page

Epothilone A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=186692-57-9 (retrieved 2024-12-22) (CAS RN: 152044-53-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1

InChIKey

InChIKey=HESCAJZNRMSMJG-KKQRBIROSA-N

SMILES

C(=C\C=1N=C(C)SC1)(\C)/[C@@H]2C[C@]3([C@](O3)(CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)[H])[H]

Canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)CC3OC3CCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C

Other Names for this Substance

  • 4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-
  • 4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12-tetramethyl-3-[1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, [1R*,3R*(E),7R*,10S*,11R*,12R*,16S*]-
  • (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
  • Epothilone A
  • (-)-Epothilone A

View All

Deleted or Replaced CAS Registry Numbers

186692-57-9

CAS INSIGHTSTM
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