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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32FO8P
Molecular Weight 474.4568
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGN-4-EN-21-YL DIHYDROGEN PHOSPHATE

SMILES

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

InChI

InChIKey=ZWOSMFDKODAFBH-DVTGEIKXSA-N
InChI=1S/C22H32FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h9,12,15-17,25,27H,4-8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H32FO8P
Molecular Weight 474.4568
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 09:39:43 UTC 2023
Edited
by admin
on Sat Dec 16 09:39:43 UTC 2023
Record UNII
LJ362F34RS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGN-4-EN-21-YL DIHYDROGEN PHOSPHATE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
145996645
Created by admin on Sat Dec 16 09:39:43 UTC 2023 , Edited by admin on Sat Dec 16 09:39:43 UTC 2023
PRIMARY
FDA UNII
LJ362F34RS
Created by admin on Sat Dec 16 09:39:43 UTC 2023 , Edited by admin on Sat Dec 16 09:39:43 UTC 2023
PRIMARY
CAS
2414-45-1
Created by admin on Sat Dec 16 09:39:43 UTC 2023 , Edited by admin on Sat Dec 16 09:39:43 UTC 2023
PRIMARY
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