化学式

CAS号

IUPAC Name

[(1S,2S,3R,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-9,12-二羟基-15-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-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,7R,9S,10S,12R,15R,16S)-4-acetyloxy-9,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-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/C44H51NO16/c1-21-27-29(48)33(50)42(8)25(47)19-26-43(20-55-26,59-22(2)46)32(42)35(57-36(51)24-17-13-10-14-18-24)44(41(27,6)7)34(58-39(54)61-44)31(21)56-37(52)30(49)28(23-15-11-9-12-16-23)45-38(53)60-40(3,4)5/h9-18,25-26,28-32,34-35,47-49H,19-20H2,1-8H3,(H,45,53)/t25-,26+,28-,29+,30+,31+,32-,34-,35-,42+,43?,44+/m0/s1

InChI Key

JRXJHMSKXWRYCH-AIRSHEBUSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(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)(CO4)OC(=O)C)O)C)O

别名

• SCHEMBL12361978