Analyte Name

28-Ethyl-d4-hydroxy Rapamycin

Molecular Formula

C53 D4 H79 N O14

Molecular Weight

962.249

Accurate Mass

961.606

SMILES

[2H]C([2H])(O)C([2H])([2H])O[C@H]1[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@H](C)\C=C\1/C)[C@H](C)C[C@@H]4CC[C@@H](O)[C@@H](C4)OC)OC

InChI

InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-42(56)46(29-39)64-9)31-43(57)34(3)27-37(6)48(66-25-24-55)49(65-10)47(58)36(5)26-32/h11-13,16-17,27,32,34-36,38-42,44-46,48-49,55-56,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34?,35-,36-,38-,39+,40+,41+,42-,44+,45+,46-,48-,49+,53-/m1/s1/i24D2,25D2

IUPAC

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-18-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat