trans-Epo D

Molecular Formula: C27H41NO5S


InChI: InChI=1/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+/m1/s1

InChIKey: InChIKey=XOZIUKBZLSUILX-YYMTXYBZBD
SMILES: CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C

Names:
    trans-Epothilone D
    trans-Epo D
    (E)-Desoxyepothilone B
    (2S,4E,9S,10S,11R,14S)-10,14-dihydroxy-5,9,11,13,13-pentamethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-4-ene-12,16-dione

Registries:
    PubChem CID 6918680
    PubChem ID 12015722