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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O6
Molecular Weight 374.4275
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-KETO-16.ALPHA.-HYDROXYPREDNISOLONE

SMILES

[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO

InChI

InChIKey=QUDYJOZZUZDXCV-QLONCABFSA-N
InChI=1S/C21H26O6/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/h5-7,13-14,16,18,22,25,27H,3-4,8-10H2,1-2H3/t13-,14-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26O6
Molecular Weight 374.4275
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9UUI9HUO3Q
Record Status Validated (UNII)
Record Version