化学式

CAS号

IUPAC Name

[(1S,5S,6R,9R,12R,13S)-9-乙酰氧基-12-(3-acetyloxyoxetan-3-基)-11-[(1S)-1-羟基乙基]-6-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-7,11,14,14-四甲基-3,10-二氧代-2,4-二氧杂三环[6.5.1.01,5]tetradec-7-烯-13-基]环己-1,3-二烯-1-甲酸基酯 [(1S,5S,6R,9R,12R,13S)-9-acetyloxy-12-(3-acetyloxyoxetan-3-yl)-11-[(1S)-1-hydroxyethyl]-6-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-7,11,14,14-tetramethyl-3,10-dioxo-2,4-dioxatricyclo[6.5.1.01,5]tetradec-7-en-13-yl] cyclohexa-1,3-diene-1-carboxylate

InChI

InChI=1S/C44H61NO17/c1-21(2)18-27(45-38(53)61-40(7,8)9)29(49)37(52)57-30-22(3)28-31(56-24(5)47)33(50)42(12,23(4)46)32(43(19-55-20-43)60-25(6)48)35(58-36(51)26-16-14-13-15-17-26)44(41(28,10)11)34(30)59-39(54)62-44/h13-14,16,21,23,27,29-32,34-35,46,49H,15,17-20H2,1-12H3,(H,45,53)/t23-,27-,29+,30+,31+,32-,34-,35-,42?,44+/m0/s1

InChI Key

RNTINDLACAWBKC-OXLXSSQOSA-N

Canonical SMILES

CC1=C2C(C(=O)C(C(C(C3(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O3)OC(=O)C4=CC=CCC4)C5(COC5)OC(=O)C)(C)C(C)O)OC(=O)C

别名

• SCHEMBL12153873