Epothilone B (Q4915)

From Chemical Compounds of Interest
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chemical compound
Language Label Description Also known as
English
Epothilone B
chemical compound

    Statements

    SMILES
    C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
    0 references
    chemical formula
    C₂₇H₄₁NO₆S
    1 reference
    based on heuristic
    inferred from SMILES
    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
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    409
    0 references
     
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