Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(5S,7R,9S)-5-ethyl-1,2,3,4,5,6,7,8,9,10-decahydro-5-hydroxy-9-(methoxycarbonyl)-7-[[[(4-methylphenyl)sulfonyl]oxy]methyl]azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12R,19α)-(548774-92-1)名称与标识符
名称
英文别名:
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(5S,7R,9S)-5-ethyl-1,2,3,4,5,6,7,8,9,10-decahydro-5-hydroxy-9-(methoxycarbonyl)-7-[[[(4-methylphenyl)sulfonyl]oxy]methyl]azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12R,19α)-;
标识符
InChIKey:
KHYSIRMDZOJELQ-MPZYHTEFSA-N
Inchi:
1S/C53H66N4O12S/c1-9-49(61)28-34(30-68-70(63,64)35-18-16-32(3)17-19-35)29-52(47(59)66-7,43-37(20-23-54-31-49)36-14-11-12-15-40(36)55-43)39-26-38-41(27-42(39)65-6)56(5)45-51(38)22-25-57-24-13-21-50(10-2,44(51)57)46(69-33(4)58)53(45,62)48(60)67-8/h11-19,21,26-27,34,44-46,54-55,61-62H,9-10,20,22-25,28-31H2,1-8H3/t34-,44-,45+,46+,49-,50+,51+,52-,53-/m0/s1
SMILES:
C12[C@@]34[C@@]5([C@](C=CCN5CC3)(CC)[C@@H](OC(C)=O)[C@](O)(C(OC)=O)[C@]4([H])N(C)C=1C=C(OC)C([C@]1(C(OC)=O)C3=C(CCNC[C@@](CC)(O)C[C@H](COS(C4=CC=C(C)C=C4)(=O)=O)C1)C1=C(N3)C=CC=C1)=C2)[H]