Epothilone D

CAS Registry Number®

189453-10-9
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CAS Name

Epothilone D

Molecular Formula

C27H41NO5S

Molecular Mass

491.68

Cite this Page

Epothilone D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=189453-10-9 (retrieved 2024-03-29) (CAS RN: 189453-10-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11+,18-13+/t17-,19+,22-,23-,25-/m0/s1

InChIKey

InChIKey=XOZIUKBZLSUILX-SKHVSTCVSA-N

SMILES

C(=C\C=1N=C(C)SC1)(\C)/[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC\C(\C)=C\C2

Canonical SMILES

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

Other Names for this Substance

  • Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (4S,7R,8S,9S,13Z,16S)-
  • Oxacyclohexadec-13-ene-2,6-dione, 4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, [4S-[4R*,7S*,8R*,9R*,13Z,16R*(E)]]-
  • (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]oxacyclohexadec-13-ene-2,6-dione
  • Desoxyepothilone B
  • Epothilone D

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