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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity ( + )
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-DEHYDRO-11.BETA.-HYDROXY-17-METHYLTESTOSTERONE

SMILES

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

InChI

InChIKey=JYSKGJQTRZNVIX-OWLVHUDESA-N
InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:35:52 GMT 2023
Edited
by admin
on Fri Dec 15 15:35:52 GMT 2023
Record UNII
9G8RZW8MAN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-DEHYDRO-11.BETA.-HYDROXY-17-METHYLTESTOSTERONE
Common Name English
ANDROSTA-1,4-DIEN-3-ONE, 11.BETA.,17.BETA.-DIHYDROXY-17-METHYL-
Common Name English
(8s,9s,10r,11s,13s,14s,17s)-11,17-dihydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-one
Systematic Name English
ANDROSTA-1,4-DIEN-3-ONE, 11,17-DIHYDROXY-17-METHYL-, (11.BETA.,17.BETA.)-
Common Name English
11.BETA.,17.BETA.-DIHYDROXY-17-METHYLANDROST-1,4-DIEN-3-ONE
Common Name English
U-6837
Code English
NSC-59614
Common Name English
Code System Code Type Description
CAS
22204-44-0
Created by admin on Fri Dec 15 15:35:52 GMT 2023 , Edited by admin on Fri Dec 15 15:35:52 GMT 2023
PRIMARY
NSC
59614
Created by admin on Fri Dec 15 15:35:52 GMT 2023 , Edited by admin on Fri Dec 15 15:35:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID90944863
Created by admin on Fri Dec 15 15:35:52 GMT 2023 , Edited by admin on Fri Dec 15 15:35:52 GMT 2023
PRIMARY
PUBCHEM
11954146
Created by admin on Fri Dec 15 15:35:52 GMT 2023 , Edited by admin on Fri Dec 15 15:35:52 GMT 2023
PRIMARY
FDA UNII
9G8RZW8MAN
Created by admin on Fri Dec 15 15:35:52 GMT 2023 , Edited by admin on Fri Dec 15 15:35:52 GMT 2023
PRIMARY