化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S,20S)-4,12-二乙酰-9-羟基-15-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]己-4-enoyl]氧基-10,14,20-三甲基-11,18-二氧代-6,17,19-trioxahexacyclo[11.6.1.01,16.03,10.04,7.015,20]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S,20S)-4,12-diacetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,20-trimethyl-11,18-dioxo-6,17,19-trioxahexacyclo[11.6.1.01,16.03,10.04,7.015,20]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C43H51NO17/c1-19(2)16-24(44-36(52)60-38(6,7)8)28(48)34(51)59-42-20(3)27-29(55-21(4)45)31(49)39(9)25(47)17-26-41(18-54-26,58-22(5)46)30(39)32(56-33(50)23-14-12-11-13-15-23)43(40(27,42)10)35(42)57-37(53)61-43/h11-16,24-26,28-30,32,35,47-48H,17-18H2,1-10H3,(H,44,52)/t24-,25-,26+,28+,29+,30-,32-,35-,39+,40-,41-,42-,43-/m0/s1

InChI Key

FKVIDBAQIWDJJS-DKBGPIOPSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C56C2(C1(C5OC(=O)O6)OC(=O)C(C(C=C(C)C)NC(=O)OC(C)(C)C)O)C)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

别名

• SCHEMBL13109184