化学式

CAS号

IUPAC Name

甲基(4R)-5-[(8aS,10aS)-7-[2-[4-[9-[2-(chloroamino)乙基]-7-[1-[2-[[(5R,8R,14S)-17-[(2R)-5-甲氧基-5-oxopentan-2-基]-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-环戊并[a]菲-3-基]氧基]-2-氧代乙基]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-[(8aS,10aS)-7-[2-[4-[9-[2-(chloroamino)ethyl]-7-[1-[2-[[(5R,8R,14S)-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]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/C71H99ClN8O8/c1-43(10-22-64(81)85-8)45(3)68(4)28-26-57-48(38-68)12-15-49-36-51(24-29-69(49,57)5)87-66(83)41-78-39-60(74-76-78)46-13-17-53-54-18-14-47(35-63(54)80(33-32-73-72)62(53)34-46)61-40-79(77-75-61)42-67(84)88-52-25-30-70(6)50(37-52)16-19-55-58-21-20-56(44(2)11-23-65(82)86-9)71(58,7)31-27-59(55)70/h13-14,17-18,34-35,39-40,43-45,48-52,55-59,73H,10-12,15-16,19-33,36-38,41-42H2,1-9H3/t43-,44-,45?,48+,49+,50-,51?,52?,55+,56?,57?,58+,59?,68?,69?,70?,71?/m1/s1

InChI Key

SNHITXLDWSRCKT-GCEVJCLDSA-N

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)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)C)C

别名

• SCHEMBL22894428