Analyte Name

(2S,2aR,2aS,8aR)-2a-(2-((Cyclopropylmethyl)(methyl)amino)ethyl)-2,4,8a-trihydroxy-2,2a,8a-tetrahydro-1H-indeno[1,7,6-bcd]benzo-2-carboxylic Acid

Molecular Formula

C21 H25 N O6

Molecular Weight

387.426

Accurate Mass

387.168

SMILES

CN(CC[C@]12[C@H]3Oc4c(O)ccc(C=C[C@]1(O)C[C@@]3(O)C(=O)O)c24)CC5CC5

InChI

InChI=1S/C21H25NO6/c1-22(10-12-2-3-12)9-8-20-15-13-4-5-14(23)16(15)28-17(20)21(27,18(24)25)11-19(20,26)7-6-13/h4-7,12,17,23,26-27H,2-3,8-11H2,1H3,(H,24,25)/t17-,19+,20+,21+/m1/s1

IUPAC

(1R,2S,4R,13S)-13-[2-[cyclopropylmethyl(methyl)amino]ethyl]-2,4,10-trihydroxy-14-oxatetracyclo[9.2.1.04,13.07,12]tetradeca-5,7(12),8,10-tetraene-2-carboxylic acid

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat