CAS Registry Number®
6870-94-6
CAS Name
(6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione
Molecular Formula
C22H30O4
Molecular Mass
358.47
Compound Properties
-
Melting Point (1)
222-231 °C
Source(s)
- (1) Lincoln, Frank H., Jr.; US2864838, 1958, CAplus
Other Names and Identifiers
InChI
InChI=1S/C22H30O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h5,7,10,12,15-16,18-19,25-26H,6,8-9,11H2,1-4H3/t12-,15-,16-,18-,19+,20-,21-,22-/m0/s1
InChIKey
InChIKey=UWMKPWKZGHRUQC-RSWUNGFYSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(=O)C)C4(C)CC(O)C32)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-, (6α,11β)-
- Pregna-1,4-diene-3,20-dione, 11β,17-dihydroxy-6α-methyl-
- (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione
- NSC 125051
- 11β,17α-Dihydroxy-6α-methylpregna-1,4-diene-3,20-dione
