Epothilone B

CAS Registry Number®

152044-54-7

CAS Name

Epothilone B

Molecular Formula

C27H41NO6S

Molecular Mass

507.68

Cite this Page

Epothilone B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152044-54-7 (retrieved 2024-11-22) (CAS RN: 152044-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117-118 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

InChIKey

InChIKey=QXRSDHAAWVKZLJ-PVYNADRNSA-N

SMILES

C[C@@]12[C@@](O1)(C[C@@H](\C(=C\C=3N=C(C)SC3)\C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC2)[H]

Canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)CC3OC3(C)CCCC(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-8,8,10,12,16-pentamethyl-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-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, [1S-[1R*,3R*(E),7R*,10S*,11R*,12R*,16S*]]-
  • (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
  • Epothilone B
  • (-)-Epothilone B

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Deleted or Replaced CAS Registry Numbers

681125-91-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration