Analytenname

7-O-Desmethyl Temsirolimus

CAS-Nummer

408321-08-4

Molekularformel

C55H85NO16

Molekulargewicht

1016.28

Genaue Masse

1015.59

SMILES

C[C@H](C[C@@]1([H])C[C@@H](OC)[C@H](OC(C(CO)(CO)C)=O)CC1)[C@]([H])(CC([C@H](C)/C=C([C@@H](O)[C@H]2OC)\C)=O)OC([C@@]3([H])N(C(C([C@@]4(O)[C@H](C)CC[C@@]([H])(C[C@H](O)/C(C)=C/C=C/C=C[C@@H](C)C[C@@H](C)C2=O)O4)=O)=O)CCCC3)=O

InChI

InChI=1S/C55H85NO16/c1-32-16-12-11-13-17-33(2)42(59)28-40-21-19-38(7)55(67,72-40)50(63)51(64)56-23-15-14-18-41(56)52(65)70-45(29-43(60)34(3)25-37(6)48(62)49(69-10)47(61)36(5)24-32)35(4)26-39-20-22-44(46(27-39)68-9)71-53(66)54(8,30-57)31-58/h11-13,16-17,25,32,34-36,38-42,44-46,48-49,57-59,62,67H,14-15,18-24,26-31H2,1-10H3/b13-11+,16-12+,33-17+,37-25+/t32-,34-,35-,36-,38-,39+,40+,41+,42+,44-,45+,46?,48-,49?,55-/m1/s1

IUPAC

(1R,2R,4S)-2-methoxy-4-((R)-2-((3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,21,27-trihydroxy-10-methoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1]oxa[4]azacyclohentriacontin-3-yl)propyl)cyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Impurity

Produktformat

Neat