Analyte Name

(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R)-tetrahydro-4,6-dioxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl 2,2-Dimethylbutanoate

CAS Number

1426939-44-7

Molecular Formula

C25 H36 O5

Molecular Weight

416.55

Accurate Mass

416.256

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC(=O)CC(=O)O3)[C@@H]12

InChI

InChI=1S/C25H36O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,19-21,23H,6,9-10,12-14H2,1-5H3/t15-,16-,19+,20-,21-,23-/m0/s1

IUPAC

[(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat