U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O4
Molecular Weight 344.4446
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 18-DEOXYALDOSTERONE

SMILES

[H][C@@]12CC[C@H](C(=O)CO)[C@]13CO[C@@H](C3)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=ZEBLTAXSHAKMDJ-SNCGNRLASA-N
InChI=1S/C21H28O4/c1-20-7-6-13(23)8-12(20)2-3-14-15-4-5-16(17(24)10-22)21(15)9-18(19(14)20)25-11-21/h8,14-16,18-19,22H,2-7,9-11H2,1H3/t14-,15-,16+,18-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O4
Molecular Weight 344.4446
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
S4YT68R2XR
Record Status Validated (UNII)
Record Version