化学式

CAS号

IUPAC Name

[(2S,3R,4S,6R)-2-[[(3aR,4R,6R,8R,9R,10S,11S,12R,15R,15aR)-15-乙基-8-甲氧基-11-[(2R,4R,6S)-4-甲氧基-4,6-二甲基-5-oxooxan-2-基]氧基-4,6,8,10,12,15a-六甲基-2,5,13-三氧代-3a,4,6,7,9,10,11,12,14,15-decahydrocyclotetradeca[d][1,3]二氧杂环戊烯-9-基]氧基]-4-(二甲基氨基)-6-methyloxan-3-基]乙酸酯 [(2S,3R,4S,6R)-2-[[(3aR,4R,6R,8R,9R,10S,11S,12R,15R,15aR)-15-ethyl-8-methoxy-11-[(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-oxooxan-2-yl]oxy-4,6,8,10,12,15a-hexamethyl-2,5,13-trioxo-3a,4,6,7,9,10,11,12,14,15-decahydrocyclotetradeca[d][1,3]dioxol-9-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate

InChI

InChI=1S/C42H69NO14/c1-16-28-18-30(45)23(4)33(54-31-20-40(9,49-14)35(47)26(7)52-31)25(6)36(55-38-34(53-27(8)44)29(43(12)13)17-22(3)51-38)41(10,50-15)19-21(2)32(46)24(5)37-42(28,11)57-39(48)56-37/h21-26,28-29,31,33-34,36-38H,16-20H2,1-15H3/t21-,22-,23+,24+,25+,26+,28-,29+,31+,33-,34-,36-,37-,38+,40-,41-,42-/m1/s1

InChI Key

GCTYJJQMROZCPN-NYLMMSMLSA-N

Canonical SMILES

CCC1CC(=O)C(C(C(C(C(CC(C(=O)C(C2C1(OC(=O)O2)C)C)C)(C)OC)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)C)OC4CC(C(=O)C(O4)C)(C)OC)C

别名

• J3.496.319C
• Acetic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3aR,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-8-[[(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl]oxy]-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-3a,4,5,6,7,8,9,10,11,12,13,14,15,15a-tetradecahydrocyclotetradeca-1,3-dioxole-10-yl]oxy]-6-methyltetrahydro-2H-pyran-3-yl] ester