CAS Registry Number®
3044-42-6
CAS Name
(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
Molecular Formula
C23H28O5
Molecular Mass
384.47
Compound Properties
-
Melting Point (1)
208-209 °C
Source(s)
- (1) Magerlein, Barney J.; US3068251, 1962, CAplus
Other Names and Identifiers
InChI
InChI=1S/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3/t16-,17-,19-,21+,22-,23-/m0/s1
InChIKey
InChIKey=ABGUZAVIFZZDDZ-MHYQPVDNSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)C(C(COC(C)=O)=O)=CC4)[H])(CCC1=CC(=O)C=C2)[H])[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC=C(C(=O)COC(=O)C)C4(C)CC(O)C32)C
Other Names for this Substance
- Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11β)-
- Pregna-1,4,16-triene-3,20-dione, 11β,21-dihydroxy-, 21-acetate
- (11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
- 21-Acetoxy-11β-hydroxypregna-1,4,16-triene-3,20-dione
- 11β,21-Dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
