化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-cyclopropyloxy-15-[(2R,3S)-3-(2,2-二甲基丙酰氨基)-2-羟基-5-methylhexanoyl]氧基-9-羟基-10,14,20,20-四甲基-11,18-二氧代-6,17,19-trioxapentacyclo[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-cyclopropyloxy-15-[(2R,3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-5-methylhexanoyl]oxy-9-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C45H59NO15/c1-21(2)18-26(46-39(53)41(5,6)7)30(49)38(52)57-31-22(3)29-32(56-25-16-17-25)34(50)43(10)27(48)19-28-44(20-55-28,60-23(4)47)33(43)36(58-37(51)24-14-12-11-13-15-24)45(42(29,8)9)35(31)59-40(54)61-45/h11-15,21,25-28,30-33,35-36,48-49H,16-20H2,1-10H3,(H,46,53)/t26-,27-,28+,30+,31+,32+,33-,35-,36-,43+,44-,45+/m0/s1

InChI Key

SUXGIHXPVQIWJO-ALKWZGSASA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)C(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC7CC7

别名

• CHEMBL1096582