CAS Number
Molecular Formula
C40H56O11
Product format
Neat
Molecular Weight
712.88
API Family
Synonyms
1190395-92-6; Eribulin Impurity 27; 7Q66XY7ENC; ER809681; ER-809681; (2R, 3R, 3aS, 7R, 8aS, 9S, 10aR, 11S, 12R, 13aR, 13bS, 15S, 18S, 21S, 24S, 26R, 28R, 29aS)-Hexacosahydro-3-methoxy-26-methyl-20, 27-bis(methylene)-2-[(2S)-2-oxiranylmethyl]-11, 15:18, 21:24, 28-triepoxy-7, 9-ethano-12, 15-methano-9H, 15H-furo[3, 2-i]furo[2', 3':5, 6]pyrano[4, 3-b][1, 4]dioxacyclopentacosin-5(4H)-one; (2S, 5S, 8S, 11S, 13R, 15R, 16aS, 18R, 19R, 19aS, 23R, 24aS, 25S, 26aR, 27S, 28R, 29aR, 29bS)-19-methoxy-13-methyl-7, 14-dimethylene-18-(((S)-oxiran-2-yl)methyl)hexacosahydro-25H-2, 27:5, 8:11, 15-triepoxy-23, 25-ethano-2, 28-methanofuro[3, 2-i]furo[2', 3':5, 6]pyrano[4, 3-b][1 and 4]dioxacyclopentacosin-21(3H)-one
Iupac Name
(1S, 3S, 6S, 9S, 12S, 14R, 16R, 18S, 20R, 21R, 22S, 26R, 29S, 31R, 32S, 33R, 35R, 36S)-21-methoxy-14-methyl-8, 15-dimethylidene-20-[[(2S)-oxiran-2-yl]methyl]-2, 19, 30, 34, 37, 39, 40, 41-octaoxanonacyclo[24.9.2.13, 32.13, 33.16, 9.112, 16.018, 22.029, 36.031 and 35]hentetracontan-24-one
InChI
InChI=1S/C40H56O11/c1-19-11-23-5-7-28-20(2)12-25(44-28)9-10-40-17-33-36(50-40)37-38(49-33)39(51-40)35-29(48-37)8-6-24(46-35)13-22(41)14-27-31(16-30(45-23)21(19)3)47-32(34(27)42-4)15-26-18-43-26/h19,23-39H,2-3,5-18H2,1,4H3/t19-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
