化学式

CAS号

IUPAC Name

甲基(4R)-5-[(8aR,10aS)-7-[2-[4-[9-[2-(chloroamino)乙基]-7-[1-[[(3S,5R,8R,14S)-3-羟基-17-[(2R)-5-甲氧基-5-oxopentan-2-基]-10,13-二甲基-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]菲-3-基]甲基]三唑-4-基]咔唑-2-基]三唑-1-基]乙酰基]氧基-2,4b-二甲基-1,3,4,4a,5,6,7,8,8a,9,10,10 methyl (4R)-5-[(8aR,10aS)-7-[2-[4-[9-[2-(chloroamino)ethyl]-7-[1-[[(3S,5R,8R,14S)-3-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]methyl]triazol-4-yl]carbazol-2-yl]triazol-1-yl]acetyl]oxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-4-methylhexanoate

InChI

InChI=1S/C70H99ClN8O7/c1-43(10-22-63(80)84-8)45(3)66(4)27-25-56-48(37-66)12-15-49-36-51(24-28-67(49,56)5)86-65(82)41-77-39-59(73-75-77)46-13-17-52-53-18-14-47(35-62(53)79(33-32-72-71)61(52)34-46)60-40-78(76-74-60)42-70(83)31-30-68(6)50(38-70)16-19-54-57-21-20-55(44(2)11-23-64(81)85-9)69(57,7)29-26-58(54)68/h13-14,17-18,34-35,39-40,43-45,48-51,54-58,72,83H,10-12,15-16,19-33,36-38,41-42H2,1-9H3/t43-,44-,45?,48+,49-,50-,51?,54+,55?,56?,57+,58?,66?,67?,68?,69?,70+/m1/s1

InChI Key

JLJNHSYMGZXQFS-ONMXFICPSA-N

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(CN5C=C(N=N5)C6=CC7=C(C=C6)C8=C(N7CCNCl)C=C(C=C8)C9=CN(N=N9)CC(=O)OC1CCC2(C(C1)CCC1C2CCC(C1)(C)C(C)C(C)CCC(=O)OC)C)O)C)C

别名

• SCHEMBL22894585