25-Hydroxyvitamin D2 (6,19,19-D3)

CAS
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CAS
1217467-39-4
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Catalog Number

ACM1217467394

Product Name

25-Hydroxyvitamin D2 (6,19,19-D3)

CAS

1217467-39-4

Category

Heterocyclic Organic Compound

Synonyms

25-Hydroxyvitamin D2-[D3]

IUPAC Name

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol

Molecular Weight

415.67

Molecular Formula

C₂₈H₄₁D₃O₂

InChI

InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D

InChI Key

KJKIIUAXZGLUND-ABHIMYCLSA-N

Melting Point

88-95 °C (190.4-203 °F)

Flash Point

14 °C

Appearance

White crystal

Isomeric SMILES

[2H]C(=C/1CC[C@@H](C\C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C)O)[2H]

Stability

Stable if stored under recommended conditions.