化学式

CAS号

IUPAC Name

甲基(4R)-5-[(8aR,10aS)-7-[2-[4-[9-[2-(chloroamino)乙基]-7-[1-[2-[[(7R,11R,12S)-15-[(2R)-5-甲氧基-5-oxopentan-2-基]-2,16-二甲基-5-四环[9.7.0.02,7.012,16]octadecanyl]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,9,10,10a-dodecahydrophenanthren-2-基] methyl (4R)-5-[(8aR,10aS)-7-[2-[4-[9-[2-(chloroamino)ethyl]-7-[1-[2-[[(7R,11R,12S)-15-[(2R)-5-methoxy-5-oxopentan-2-yl]-2,16-dimethyl-5-tetracyclo[9.7.0.02,7.012,16]octadecanyl]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/C72H101ClN8O8/c1-44(13-23-65(82)86-8)46(3)69(4)29-27-58-49(39-69)15-18-51-38-53(25-30-70(51,58)5)89-68(85)43-80-41-62(76-78-80)48-17-20-55-54-19-16-47(35-63(54)81(34-33-74-73)64(55)36-48)61-40-79(77-75-61)42-67(84)88-52-26-31-71(6)50(37-52)11-10-12-56-59-22-21-57(45(2)14-24-66(83)87-9)72(59,7)32-28-60(56)71/h16-17,19-20,35-36,40-41,44-46,49-53,56-60,74H,10-15,18,21-34,37-39,42-43H2,1-9H3/t44-,45-,46?,49+,50-,51-,52?,53?,56+,57?,58?,59+,60?,69?,70?,71?,72?/m1/s1

InChI Key

JWLDXHCREHCRFV-NRSPSSIGSA-N

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCCC4C3(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

• SCHEMBL22894459