Analyte Name

(1S,2R,3R,4aR,4bR,7S,9aS,10S,10aR)-Methoxymethyl 3-chloro-2,7-dihydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate

Molecular Formula

C21 H27 Cl O7

Molecular Weight

426.888

Accurate Mass

426.145

SMILES

COCOC(=O)[C@H]1[C@@H]2[C@@]3(C)[C@@H](O)[C@H](Cl)C[C@@]2(OC3=O)[C@@H]4CC[C@]5(O)C[C@]14CC5=C

InChI

InChI=1S/C21H27ClO7/c1-10-6-19-8-20(10,26)5-4-12(19)21-7-11(22)15(23)18(2,17(25)29-21)14(21)13(19)16(24)28-9-27-3/h11-15,23,26H,1,4-9H2,2-3H3/t11-,12-,13-,14-,15+,18+,19+,20+,21-/m1/s1

IUPAC

methoxymethyl (1R,2R,5S,8S,9S,10R,11S,12R,13R)-13-chloro-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat