化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-9-甲氧基-10,14,20,20-四甲基-11,18-二氧代-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C47H64N2O16/c1-23(2)21-28(48-40(55)64-43(5,6)7)31(51)39(54)59-32-24(3)30-33(60-41(56)49(11)12)35(52)45(10)29(58-13)22-27-19-20-46(27,63-25(4)50)34(45)37(61-38(53)26-17-15-14-16-18-26)47(44(30,8)9)36(32)62-42(57)65-47/h14-18,23,27-29,31-34,36-37,51H,19-22H2,1-13H3,(H,48,55)/t27-,28+,29+,31-,32-,33-,34+,36+,37+,45-,46+,47-/m1/s1

InChI Key

XFMLREWVUOIXDF-MSRHNEAMSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4CCC4(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)OC(=O)C)OC)C)OC(=O)N(C)C

别名

• SCHEMBL18251612