化学式

CAS号

IUPAC Name

[(2S,3S,4R,6R)-6-[[(3R,4R,8S,9R,12R,13S,14S,15R,16S,18R)-15-[(2S,3R,4S,6R)-4-(二甲基氨基)-3-羟基-6-methyloxan-2-基]氧基-9-乙基-3,8,12,14,16,18-六甲基-6,11-二氧代-5,7,10,19-四氧杂-2-azatricyclo[14.2.1.04,8]nonadec-1-烯-13-基]氧基]-4-甲氧基-2,4-dimethyloxan-3-基]N-[(4-甲氧基苯基)甲基]氨基甲酯 [(2S,3S,4R,6R)-6-[[(3R,4R,8S,9R,12R,13S,14S,15R,16S,18R)-15-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-3,8,12,14,16,18-hexamethyl-6,11-dioxo-5,7,10,19-tetraoxa-2-azatricyclo[14.2.1.04,8]nonadec-1-en-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[(4-methoxyphenyl)methyl]carbamate

InChI

InChI=1S/C47H73N3O15/c1-15-33-47(10)38(63-44(54)65-47)28(6)49-40-24(2)21-46(9,64-40)37(61-42-35(51)32(50(11)12)20-25(3)57-42)26(4)36(27(5)41(52)59-33)60-34-22-45(8,56-14)39(29(7)58-34)62-43(53)48-23-30-16-18-31(55-13)19-17-30/h16-19,24-29,32-39,42,51H,15,20-23H2,1-14H3,(H,48,53)/t24-,25-,26+,27-,28-,29+,32+,33-,34+,35-,36+,37-,38-,39+,42+,45-,46+,47+/m1/s1

InChI Key

QQXRTQNKIJZPHJ-TYXFFIECSA-N

Canonical SMILES

CCC1C2(C(C(N=C3C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)OC(=O)NCC5=CC=C(C=C5)OC)(C)OC)C)OC6C(C(CC(O6)C)N(C)C)O)C)C)C)OC(=O)O2)C

别名

• (4-Methoxybenzyl)carbamic acid (2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,12R,13R,14S,15R)-15-ethyl-13,14-(carbonylbisoxy)-7,10-epoxy-6-[[(2S,3R,4S,6R)-3-hydroxy-4-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy]-3,5,7,9,12,14-hexamethyl-2-oxo-1-oxa-11-azacyclopentadeca-10-ene-4-yl]oxy]tetrahydro-4-methoxy-2,4-dimethyl-2H-pyran-3-yl ester