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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O5
Molecular Weight 388.4972
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.ALPHA.-HYDROXYTESTOSTERONE DIACETATE

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=GBEMDSZXTFIZDP-CXJHFUFTSA-N
InChI=1S/C23H32O5/c1-13(24)27-19-12-23(4)18(7-8-20(23)28-14(2)25)17-6-5-15-11-16(26)9-10-22(15,3)21(17)19/h11,17-21H,5-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H32O5
Molecular Weight 388.4972
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:32 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:32 GMT 2023
Record UNII
06I9K1TF4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.ALPHA.-HYDROXYTESTOSTERONE DIACETATE
Common Name English
ANDROST-4-EN-3-ONE, 11.ALPHA.,17.BETA.-DIHYDROXY-, DIACETATE
Systematic Name English
11.ALPHA.,17.BETA.-DIACETOXYANDROST-4-EN-3-ONE
Systematic Name English
ANDROST-4-EN-3-ONE,11-ALPHA-17-BETA-DIHYDROXY-,DIACETATE
Common Name English
U-13186
Code English
NSC-49626
Code English
Code System Code Type Description
FDA UNII
06I9K1TF4U
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
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PUBCHEM
241764
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
PRIMARY
CAS
6296-02-2
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID50978806
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
PRIMARY
NSC
49626
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
PRIMARY