化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-15-[(2R,3R)-3-(2,2-二甲基丙酰氨基)-3-(呋喃-2-基)-2-hydroxypropanoyl]氧基-9,12-二羟基-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-15-[(2R,3R)-3-(2,2-dimethylpropanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-9,12-dihydroxy-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/C42H49NO16/c1-19-25-27(46)31(48)40(8)23(45)17-24-41(18-54-24,58-20(2)44)30(40)33(56-34(49)21-13-10-9-11-14-21)42(39(25,6)7)32(57-37(52)59-42)29(19)55-35(50)28(47)26(22-15-12-16-53-22)43-36(51)38(3,4)5/h9-16,23-24,26-30,32-33,45-47H,17-18H2,1-8H3,(H,43,51)/t23-,24+,26-,27+,28+,29+,30-,32-,33-,40+,41-,42+/m0/s1

InChI Key

KJVFLMGXLDEQHH-DGDIFURJSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CO6)NC(=O)C(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O

别名

• CHEMBL1096243