Analyte Name

(+/-)-cis-anti-N2-BPDE-dG-15N5

Molecular Formula

C30 H29 15N5 O7

Molecular Weight

576.548

Accurate Mass

576.192

SMILES

OC[C@H]1O[C@H](C[C@@H]1O)[15n]2c[15n]c3C(=O)[15NH]C(=[15N]c23)[15NH][C@H]4[C@@H](O)[C@@H](O)[C@H](O)c5cc6CC=C7CC=Cc8ccc(c45)c6c78

InChI

InChI=1S/C30H29N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1,3-4,6-8,11,17-19,23,25-27,36-40H,2,5,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23+,25+,26+,27-/m0/s1/i31+1,32+1,33+1,34+1,35+1

IUPAC

9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9R,10R)-7,8,9-trihydroxy-3,5,7,8,9,10-hexahydrobenzo[a]pyren-10-yl](15N)amino]-1H-purin-6-one

SIL Type

Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat