化学式

CAS号

IUPAC Name

[(1S,5R,6S,7S,10R,12R,13S,15S,18R)-7-乙酰氧基-5,15,18-tribenzoyloxy-13,17,20,20-四甲基-3,14-二氧代-2,4,9-trioxapentacyclo[14.3.1.01,5.06,13.07,10]icos-16-烯-12-基]苯甲酸 [(1S,5R,6S,7S,10R,12R,13S,15S,18R)-7-acetyloxy-5,15,18-tribenzoyloxy-13,17,20,20-tetramethyl-3,14-dioxo-2,4,9-trioxapentacyclo[14.3.1.01,5.06,13.07,10]icos-16-en-12-yl] benzoate

InChI

InChI=1S/C51H46O15/c1-29-35(60-41(54)31-18-10-6-11-19-31)27-50-47(3,4)38(29)39(62-43(56)33-22-14-8-15-23-33)40(53)48(5)36(61-42(55)32-20-12-7-13-21-32)26-37-49(28-59-37,63-30(2)52)45(48)51(50,66-46(58)65-50)64-44(57)34-24-16-9-17-25-34/h6-25,35-37,39,45H,26-28H2,1-5H3/t35-,36-,37-,39+,45+,48+,49+,50+,51-/m1/s1

InChI Key

ONXIIBZBZDMEQV-JCPJCPKASA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C5(C(C2(C)C)(CC1OC(=O)C6=CC=CC=C6)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C8=CC=CC=C8)C)OC(=O)C9=CC=CC=C9

别名

• (1S)-4alpha-(Acetyloxy)-2alpha-(benzoyloxy)-5beta,20-epoxy-7alpha,10alpha,13beta-tris(benzoyloxy)-1alpha,2beta-[(oxomethylene)bisoxy]taxa-11-ene-9-one