5-[(4-Methoxyphenyl)-diphenylmethylamino-6-methoxy-9H-purin-9-yl]-13C2, 15N-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-cyclopentanol

Analyte Name

5-[(4-Methoxyphenyl)-diphenylmethylamino-6-methoxy-9H-purin-9-yl]-13C2, 15N-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-cyclopentanol

Molecular Formula

13C2 C44 H45 15N N4 O5

Molecular Weight

750.859

Accurate Mass

750.346

SMILES

CO[13c]1nc(NC(c2ccccc2)(c3ccccc3)c4ccc(OC)cc4)n[13c]5c1[15n]cn5[C@H]6C[C@H](OCc7ccccc7)[C@@H](COCc8ccccc8)[C@@H]6O

InChI

InChI=1S/C46H45N5O5/c1-53-37-25-23-36(24-26-37)46(34-19-11-5-12-20-34,35-21-13-6-14-22-35)50-45-48-43-41(44(49-45)54-2)47-31-51(43)39-27-40(56-29-33-17-9-4-10-18-33)38(42(39)52)30-55-28-32-15-7-3-8-16-32/h3-26,31,38-40,42,52H,27-30H2,1-2H3,(H,48,49,50)/t38-,39+,40+,42+/m1/s1/i43+1,44+1,47+1

IUPAC

(1S,2S,3S,5S)-5-[6-methoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

Unlabelled CAS Number

888015-92-7

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat