化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7S,10R,12R,15R,16S)-4-乙酰氧基-15-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-12-甲氧基-10,14,20,20-四甲基-11,18-二氧代-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7S,10R,12R,15R,16S)-4-acetyloxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-12-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C46H55NO14/c1-24-29-33(55-9)35(50)44(8)22-20-28-21-23-45(28,59-25(2)48)34(44)37(57-38(51)27-18-14-11-15-19-27)46(43(29,6)7)36(58-41(54)61-46)32(24)56-39(52)31(49)30(26-16-12-10-13-17-26)47-40(53)60-42(3,4)5/h10-19,28,30-34,36-37,49H,20-23H2,1-9H3,(H,47,53)/t28-,30-,31+,32+,33+,34-,36-,37-,44+,45-,46+/m0/s1

InChI Key

BRMQPTAMWXIZSP-IJSNMIPDSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(CCC4CCC4(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)OC(=O)C)C)OC

别名

• SCHEMBL18251608