Chemical Name: (2S)-1-[[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl]-3-methyloxan-2-yl](oxo)acetyl]piperidine-2-carboxylic acid (as per EP)
Synonym: Everolimus 19-Ene Open-Ring Impurity ; seco Everolimus ; (19E/Z)-seco-[4-O-(2-Hydroxyethyl)] Rapamycin
Smiles: OC([C@@]1([H])N(C(C([C@@]2(O)[C@@](C)([H])CC[C@](C[C@]([H])(OC)/C(C)=C/C=C/C=C/[C@@]([H])(C)C[C@@]([H])(C)C([C@]([H])(OC)[C@]([H])(O)/C(C)=C/[C@](C)([H])C(/C=C/[C@@](C)([H])C[C@]3([H])CC[C@@]([H])(OCCO)[C@@](OC)([H])C3)=O)=O)([H])O2)=O)=O)CCCC1)=O
Inchi: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1