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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO
Molecular Weight 349.509
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-KETO-5.ALPHA.-ABIRATERONE

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@@]5([H])CC(=O)CC[C@]45C

InChI

InChIKey=FKNZCFYWNHCQGE-IRMBCWQZSA-N
InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31NO
Molecular Weight 349.509
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
675L8BAG4G
Record Status Validated (UNII)
Record Version