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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O6
Molecular Weight 378.4593
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.ALPHA.-HYDROXYHYDROCORTISONE

SMILES

[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])[C@H](O)CC4=CC(=O)CC[C@]34C

InChI

InChIKey=BQARYAIEHXSXPT-YTAYWQOKSA-N
InChI=1S/C21H30O6/c1-19-5-3-12(23)7-11(19)8-14(24)17-13-4-6-21(27,16(26)10-22)20(13,2)9-15(25)18(17)19/h7,13-15,17-18,22,24-25,27H,3-6,8-10H2,1-2H3/t13-,14+,15-,17+,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O6
Molecular Weight 378.4593
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YKB8YDM4JL
Record Status Validated (UNII)
Record Version