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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O2
Molecular Weight 326.4724
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 13-ETHYL-3-METHOXY-18,19-DINOR-17.ALPHA.-PREGNA-3,5-DIEN-20-YN-17-OL

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CCC(OC)=CC4=CC[C@@]23[H]

InChI

InChIKey=JJDZOSISUWLMOH-ZCPXKWAGSA-N
InChI=1S/C22H30O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,6,14,17-20,23H,4,7-13H2,1,3H3/t17-,18+,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O2
Molecular Weight 326.4724
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:41:16 UTC 2023
Edited
by admin
on Sat Dec 16 18:41:16 UTC 2023
Record UNII
T4H49UF3PS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
13-ETHYL-3-METHOXY-18,19-DINOR-17.ALPHA.-PREGNA-3,5-DIEN-20-YN-17-OL
Systematic Name English
18,19-DINORPREGNA-3,5-DIEN-20-YN-17-OL, 13-ETHYL-3-METHOXY-, (17.ALPHA.)-
Systematic Name English
LEVONORGESTREL IMPURITY S [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
T4H49UF3PS
Created by admin on Sat Dec 16 18:41:16 UTC 2023 , Edited by admin on Sat Dec 16 18:41:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID60747762
Created by admin on Sat Dec 16 18:41:16 UTC 2023 , Edited by admin on Sat Dec 16 18:41:16 UTC 2023
PRIMARY
CAS
176254-10-7
Created by admin on Sat Dec 16 18:41:16 UTC 2023 , Edited by admin on Sat Dec 16 18:41:16 UTC 2023
PRIMARY
PUBCHEM
71777333
Created by admin on Sat Dec 16 18:41:16 UTC 2023 , Edited by admin on Sat Dec 16 18:41:16 UTC 2023
PRIMARY
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EP