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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O5
Molecular Weight 364.4766
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.ALPHA.,5.ALPHA.-TETRAHYDROALDOSTERONE

SMILES

[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)CC[C@]34C)C=O

InChI

InChIKey=YWTDWORQGPLRLL-AMFFCYTCSA-N
InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O5
Molecular Weight 364.4766
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VNY82OP5GO
Record Status FAILED
Record Version