Digoxigenin-21,23,23-d3

Analyte Name

Digoxigenin-21,23,23-d3

Molecular Formula

C23 D3 H31 O5

Molecular Weight

393.532

Accurate Mass

393.259

SMILES

[2H]C1=C([C@H]2CC[C@]3(O)[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C([2H])([2H])OC1=O

InChI

InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1/i9D,12D2

IUPAC

3,5,5-trideuterio-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one

Unlabelled CAS Number

1672-46-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Transport Restrictions

Cargo Aircaft Only Air Excepted Air Dangerous

Product Format

Neat