Analyte Name

(3aR,4R,5R,6aS)-4-[3-(Ethyleneketal)decanyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one 5-(4-Phenylbenzoate)-d15

CAS Number

1217629-12-3

Molecular Formula

C32H25D16O6

Molecular Weight

535.75

Accurate Mass

535.3766

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(CC[C@H]2[C@@H](C[C@@H]3OC(=O)C[C@H]23)OC(=O)c4ccc(cc4)c5ccccc5)OCCO1

InChI

InChI=1S/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27-,28-,29+/m1/s1/i1D3,2D2,3D2,4D2,5D2,9D2,17D2

IUPAC

[(3aR,4R,5R,6aS)-2-oxo-4-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptyl)-1,3-dioxolan-2-yl]ethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate

Unlabelled CAS Number

120396-31-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat