Betamethasone acetate impurity D[醋酸倍他米松杂质D]

912-38-9

CAS Name

(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione

Molecular Formula

C₂₄H₃₀O₆

Molecular Mass

414.49

Compound Properties

• Melting Point (1)

  225-228 °C

Source(s)

• (1) Taub, D.; Journal of the American Chemical Society, (1960), 82, 4012-26, CAplus

Other Names and Identifiers

InChI

InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,20-,21-,22-,23-,24+/m0/s1

InChIKey

InChIKey=MONKXVNQUJNHLQ-LGLNQOIUSA-N

SMILES

C[C@@]12[C@@]34[C@]([C@]5([C@](C)(C[C@@]3(O4)[H])[C@](C(COC(C)=O)=O)(O)[C@@H](C)C5)[H])(CCC1=CC(=O)C=C2)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC5OC532)C

Other Names for this Substance