化学式

CAS号

IUPAC Name

苯基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]苯甲酸 phenyl 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]benzoate

InChI

InChI=1S/C50H50O16/c1-27-38-40(61-29(3)52)42(55)48(7)35(63-37(54)23-20-31-18-21-33(22-19-31)45(56)62-34-16-12-9-13-17-34)24-36-49(26-59-36,65-30(4)53)41(48)44(58-25-32-14-10-8-11-15-32)50(47(38,5)6)43(64-46(57)66-50)39(27)60-28(2)51/h8-23,35-36,39-41,43-44H,24-26H2,1-7H3/b23-20+/t35-,36+,39+,40+,41-,43-,44-,48+,49-,50+/m0/s1

InChI Key

RKCAFGDCDWJBRI-IQQOQCTASA-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)C(=O)OC8=CC=CC=C8)C)OC(=O)C

别名

• CHEMBL195448