Ecteinascidin 770

(1'R,6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8-dihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxospiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14-carbonitrile (ACI); Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14-carbonitrile, 5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8-dihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-, [6R-(6α,6aβ,7β,13β,14β,16α,20R*)]- (ZCI); Ecteinascidin 770; Ecteinascidine 770; Et 770

N#C[C@@H]1N2[C@@]([C@@]3([H])C4=C(O)C(OC)=C(C)C=C4C[C@]1([H])N3C)([H])[C@@]5([H])C6=C(OC(C)=O)C(C)=C(OCO7)C7=C6[C@]2([H])COC([C@]8(C9=CC(OC)=C(O)C=C9CCN8)CS5)=O

InChI=1S/C40H42N4O10S/c1-17-9-21-10-23-24(13-41)44-25-14-51-39(48)40(22-12-27(49-5)26(46)11-20(22)7-8-42-40)15-55-38(32(44)31(43(23)4)28(21)33(47)34(17)50-6)30-29(25)37-36(52-16-53-37)18(2)35(30)54-19(3)45/h9,11-12,23-25,31-32,38,42,46-47H,7-8,10,14-16H2,1-6H3/t23-,24-,25-,31+,32+,38+,40+/m0/s1

IUPAC name: [(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-7'-λ1-oxidanyl-6-methoxy-21,30-dimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate