化学式

CAS号

IUPAC Name

[(1S,3R,4S,5S,8R,10S,11S,13R,16R,17S,21R)-5-乙酰氧基-16-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-10,13-二甲氧基-1,11,15-三甲基-12,19-二氧代-7,18,20-trioxahexacyclo[12.7.0.03,21.04,11.05,8.017,21]henicos-14-烯-3-基]苯甲酸 [(1S,3R,4S,5S,8R,10S,11S,13R,16R,17S,21R)-5-acetyloxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,13-dimethoxy-1,11,15-trimethyl-12,19-dioxo-7,18,20-trioxahexacyclo[12.7.0.03,21.04,11.05,8.017,21]henicos-14-en-3-yl] benzoate

InChI

InChI=1S/C46H53NO16/c1-23-29-33(56-9)34(50)43(7)27(55-8)20-28-44(22-57-28,60-24(2)48)38(43)45(61-36(51)26-18-14-11-15-19-26)21-42(29,6)46(45)35(59-40(54)63-46)32(23)58-37(52)31(49)30(25-16-12-10-13-17-25)47-39(53)62-41(3,4)5/h10-19,27-28,30-33,35,38,49H,20-22H2,1-9H3,(H,47,53)/t27-,28+,30-,31+,32+,33+,35-,38-,42-,43-,44-,45+,46-/m0/s1

InChI Key

MKZZGRSFKAMRRH-CVQRCEKHSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C5(CC2(C56C(C1OC(=O)C(C(C7=CC=CC=C7)NC(=O)OC(C)(C)C)O)OC(=O)O6)C)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)OC)C)OC

别名

• SCHEMBL19860629