(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-(3-oxo-1-decenyl)-2H-cyclopenta[b]furan-2-one 5-(4-Phenylbenzoate)-d15

Analyte Name

(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-(3-oxo-1-decenyl)-2H-cyclopenta[b]furan-2-one 5-(4-Phenylbenzoate)-d15

Molecular Formula

C30 D15 H19 O5

Molecular Weight

489.68

Accurate Mass

489.335

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)\C=C\[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccc(cc3)c4ccccc4

InChI

InChI=1S/C30H34O5/c1-2-3-4-5-9-12-24(31)17-18-25-26-19-29(32)34-28(26)20-27(25)35-30(33)23-15-13-22(14-16-23)21-10-7-6-8-11-21/h6-8,10-11,13-18,25-28H,2-5,9,12,19-20H2,1H3/b18-17+/t25-,26-,27-,28+/m1/s1/i1D3,2D2,3D2,4D2,5D2,9D2,12D2

IUPAC

[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecadeuterio-3-oxodec-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate

Unlabelled CAS Number

39865-76-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat