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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O2
Molecular Weight 316.4776
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.ALPHA.,5.BETA.-TETRAHYDRONORGESTREL

SMILES

CC[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C

InChI

InChIKey=PTHVTSMKEGKAHY-UJCQGIJZSA-N
InChI=1S/C21H32O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,14-19,22-23H,3,5-13H2,1H3/t14-,15-,16+,17-,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H32O2
Molecular Weight 316.4776
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 Mon Mar 31 21:52:08 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:08 GMT 2025
Record UNII
F3XXV841P9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEVONORGESTREL METABOLITE 3.ALPHA.,5.BETA.-TETRAHYDRONORGESTREL
Preferred Name English
3.ALPHA.,5.BETA.-TETRAHYDRONORGESTREL
Common Name English
18,19-DINORPREGN-20-YNE-3,17-DIOL, 13-ETHYL-, (3.ALPHA.,5.BETA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71752466
Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025
PRIMARY
FDA UNII
F3XXV841P9
Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025
PRIMARY
CAS
19351-16-7
Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID70858459
Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
PARENT -> METABOLITE
URINE