化学式

CAS号

IUPAC Name

甲基(4R)-5-[(7S,8aS,10aS)-7-[[4-[9-[2-(chloroamino)乙基]-7-[1-[[(3S,5S,8S,14S)-3-羟基-17-[(2R)-5-甲氧基-5-oxopentan-2-基]-10,13-二甲基-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]菲-3-基]甲基]三唑-4-基]咔唑-2-基]三唑-1-基]甲基]-7-羟基-2,4b-二甲基-3,4,4a,5,6,8,8a,9,10,10a-十氢-1H- methyl (4R)-5-[(7S,8aS,10aS)-7-[[4-[9-[2-(chloroamino)ethyl]-7-[1-[[(3S,5S,8S,14S)-3-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]methyl]triazol-4-yl]carbazol-2-yl]triazol-1-yl]methyl]-7-hydroxy-2,4b-dimethyl-3,4,4a,5,6,8,8a,9,10,10a-decahydro-1H-phenanthren-2-yl]-4-methylhexanoate

InChI

InChI=1S/C69H97ClN8O6/c1-43(10-22-62(79)83-8)45(3)64(4)26-24-55-48(36-64)12-15-49-37-68(81,30-28-65(49,55)5)41-76-39-58(72-74-76)46-13-17-51-52-18-14-47(35-61(52)78(33-32-71-70)60(51)34-46)59-40-77(75-73-59)42-69(82)31-29-66(6)50(38-69)16-19-53-56-21-20-54(44(2)11-23-63(80)84-9)67(56,7)27-25-57(53)66/h13-14,16-19,34-35,39-40,43-45,48-50,53-57,71,81-82H,10-12,15,20-33,36-38,41-42H2,1-9H3/t43-,44-,45?,48+,49+,50-,53+,54?,55?,56+,57?,64?,65?,66?,67?,68+,69+/m1/s1

InChI Key

RLAVHGKRLYMCHX-JVLKDTQYSA-N

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(CCC3C2C=CC4C3(CCC(C4)(CN5C=C(N=N5)C6=CC7=C(C=C6)C8=C(N7CCNCl)C=C(C=C8)C9=CN(N=N9)CC1(CCC2(C(C1)CCC1C2CCC(C1)(C)C(C)C(C)CCC(=O)OC)C)O)O)C)C

别名

• SCHEMBL22894427