ZK 159222-d4

Analyte Name

ZK 159222 2,2,3,3-cyclopropyl-d4

Molecular Formula

C32 2H4 H44 O5

Molecular Weight

516.74

Accurate Mass

516.3753

SMILES

[2H]C1([2H])C([2H])([2H])C1([C@H](O)\C=C\[C@@H](C)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C)C(=O)OCCCC

InChI

InChI=1S/C32H48O5/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)26-12-13-27-23(8-7-15-31(26,27)4)10-11-24-19-25(33)20-28(34)22(24)3/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,23-10+,24-11-/t21-,25-,26-,27+,28+,29-,31-/m1/s1/i16D2,17D2

IUPAC

butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxy-pent-2-enyl]-2,2,3,3-tetradeuterio-cyclopropanecarboxylate

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat