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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-DEHYDRO-PROGESTERONE

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC=C3[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=LCXMRSLFWMMCAS-WRJHFWDFSA-N
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,12,16-18H,4-8,10-11H2,1-3H3/t16-,17+,18-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:52:43 GMT 2023
Edited
by admin
on Sat Dec 16 18:52:43 GMT 2023
Record UNII
25T39R854K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-DEHYDRO-PROGESTERONE
Common Name English
PREGNA-4,9(11)-DIENE-3,20-DIONE
Systematic Name English
PROGESTERONE IMPURITY K [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
17652-16-3
Created by admin on Sat Dec 16 18:52:43 GMT 2023 , Edited by admin on Sat Dec 16 18:52:43 GMT 2023
PRIMARY
FDA UNII
25T39R854K
Created by admin on Sat Dec 16 18:52:43 GMT 2023 , Edited by admin on Sat Dec 16 18:52:43 GMT 2023
PRIMARY
PUBCHEM
11966183
Created by admin on Sat Dec 16 18:52:43 GMT 2023 , Edited by admin on Sat Dec 16 18:52:43 GMT 2023
PRIMARY
CHEBI
16744
Created by admin on Sat Dec 16 18:52:43 GMT 2023 , Edited by admin on Sat Dec 16 18:52:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP