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-[(2-氯苯基)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-[(2-chlorophenyl)methyl]carbamate

InChI

InChI=1S/C46H70ClN3O14/c1-14-32-46(10)37(62-43(54)64-46)27(6)49-39-23(2)20-45(9,63-39)36(60-41-34(51)31(50(11)12)19-24(3)56-41)25(4)35(26(5)40(52)58-32)59-33-21-44(8,55-13)38(28(7)57-33)61-42(53)48-22-29-17-15-16-18-30(29)47/h15-18,23-28,31-38,41,51H,14,19-22H2,1-13H3,(H,48,53)/t23-,24-,25+,26-,27-,28+,31+,32-,33+,34-,35+,36-,37-,38+,41+,44-,45+,46+/m1/s1

InChI Key

KUONEKNDCPEXOB-VHLFLENRSA-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=CC=C5Cl)(C)OC)C)OC6C(C(CC(O6)C)N(C)C)O)C)C)C)OC(=O)O2)C

别名

• (2-Chlorobenzyl)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