化学式

CAS号

IUPAC Name

(1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[[2-[[2-(chloroamino)-2-甲基丙酰基]氨基]-2-甲基丙酰基]氨基]-5a,5b,8,8,11a-五甲基-2-氧代-1-丙烷-2-基-4,5,6,7,7a,9,10,11,11b,12,13,13a-十二氢-3H-环戊并[a]chrysen-9-基]oxycarbonyl]-2,2-二甲基环丁烷-1-羧酸 (1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[[2-[[2-(chloroamino)-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxycarbonyl]-2,2-dimethylcyclobutane-1-carboxylic acid

InChI

InChI=1S/C45H70ClN3O7/c1-24(2)32-28(50)23-45(48-36(54)40(7,8)47-37(55)41(9,10)49-46)21-20-43(12)25(33(32)45)14-15-30-42(11)18-17-31(39(5,6)29(42)16-19-44(30,43)13)56-35(53)27-22-26(34(51)52)38(27,3)4/h24-27,29-31,49H,14-23H2,1-13H3,(H,47,55)(H,48,54)(H,51,52)/t25-,26+,27-,29+,30-,31+,42+,43-,44-,45-/m1/s1

InChI Key

QYSWYHAIGPNFBR-DAUMRJQYSA-N

Canonical SMILES

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NCl)C)C)(C)C)OC(=O)C6CC(C6(C)C)C(=O)O)C

别名

• SCHEMBL18375889