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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31FO3
Molecular Weight 338.4567
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-FLUORO-17-METHYL-ANDROST-4-ENE-3,11,17-TRIOL, (3.ALPHA.,11.BETA.,17.BETA.)-

SMILES

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

InChI

InChIKey=PBKCZWKHNIQOEO-DVEALZNXSA-N
InChI=1S/C20H31FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,13-16,22-24H,4-9,11H2,1-3H3/t13-,14+,15+,16+,17+,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H31FO3
Molecular Weight 338.4567
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:15:17 UTC 2023
Edited
by admin
on Sat Dec 16 09:15:17 UTC 2023
Record UNII
TUN6Y5YCA3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-FLUORO-17-METHYL-ANDROST-4-ENE-3,11,17-TRIOL, (3.ALPHA.,11.BETA.,17.BETA.)-
Common Name English
ANDROST-4-ENE-3,11,17-TRIOL, 9-FLUORO-17-METHYL-, (3.ALPHA.,11.BETA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
TUN6Y5YCA3
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
PUBCHEM
156028098
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
CAS
1031247-80-9
Created by admin on Sat Dec 16 09:15:17 UTC 2023 , Edited by admin on Sat Dec 16 09:15:17 UTC 2023
PRIMARY
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