Analyte Name

7-O-Desmethyl Temsirolimus-d3

Molecular Formula

C55H82D3NO16

Molecular Weight

1019.28

Accurate Mass

1018.61

SMILES

C[C@H](C[C@@]1([H])C[C@@H](OC)[C@H](OC(C(CO)(CO)C([2H])([2H])[2H])=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/i8D3

Unlabelled CAS Number

408321-08-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat