化学式

CAS号

IUPAC Name

[4-[(E)-3-氧代-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12,15-triacetyloxy-10,14,20,20-四甲基-11,18-二氧代-2-苄氧基-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-9-基]氧基]丙-1-烯基]苯基]4-硝基苯甲酸 [4-[(E)-3-oxo-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12,15-triacetyloxy-10,14,20,20-tetramethyl-11,18-dioxo-2-phenylmethoxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-9-yl]oxy]prop-1-enyl]phenyl] 4-nitrobenzoate

InChI

InChI=1S/C50H49NO18/c1-26-38-40(64-28(3)53)42(56)48(7)35(66-37(55)22-15-30-13-20-34(21-14-30)65-45(57)32-16-18-33(19-17-32)51(59)60)23-36-49(25-62-36,68-29(4)54)41(48)44(61-24-31-11-9-8-10-12-31)50(47(38,5)6)43(67-46(58)69-50)39(26)63-27(2)52/h8-22,35-36,39-41,43-44H,23-25H2,1-7H3/b22-15+/t35-,36+,39+,40+,41-,43-,44-,48+,49-,50+/m0/s1

InChI Key

QKBKQVZQVNSDRS-FZQTXXKBSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C)OC(=O)O5)OCC6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)C=CC7=CC=C(C=C7)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])C)OC(=O)C

别名

• CHEMBL408377