CAS Registry Number®
13951-70-7
CAS Name
16α-Hydroxyprednisolone
Molecular Formula
C21H28O6
Molecular Mass
376.44
Compound Properties
-
Melting Point (1)
229-231 °C
Source(s)
- (1) Bernstein, Seymour; US2789118, 1957, CAplus
Other Names and Identifiers
InChI
InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
InChIKey
InChIKey=SEKYBDYVXDAYPY-ILNISADRSA-N
SMILES
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(C[C@@H](O)[C@@]2(C(CO)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC(O)C(O)(C(=O)CO)C4(C)CC(O)C32)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11β,16α)-
- Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-
- (11β,16α)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
- 16α-Hydroxyprednisolone
- 11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dione
- 16α-Hydroxylprednisolone
- 16alpha-Hydroxyprednisolone
