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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23NO2
Molecular Weight 309.4021
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STS-825

SMILES

[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CC=C3C4=CC=C(O)C=C4CC[C@@]23[H]

InChI

InChIKey=LPEAVAOTAWKUPC-FUMNGEBKSA-N
InChI=1S/C20H23NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5-6,12,17-18,22-23H,2,4,7-10H2,1H3/t17-,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H23NO2
Molecular Weight 309.4021
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:07:33 UTC 2023
Edited
by admin
on Thu Jul 06 20:07:33 UTC 2023
Record UNII
7T4537YE2X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STS-825
Code English
DIENOGEST METABOLITE (STS 825)
Common Name English
2-((8S,13S,14S,17R)-3,17-DIHYDROXY-13-METHYL-7,8,12,14,15,16-HEXAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-17-YL)ACETONITRILE
Systematic Name English
STS 825
Code English
19-NORPREGNA-1,3,5(10),9(11)-TETRAENE-21-NITRILE, 3,17-DIHYDROXY-, (17.ALPHA.)-
Systematic Name English
17.ALPHA.-CYANOMETHYLESTRA-1,3,5(10),9(11)-TETRAENE-3,17.BETA.-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
54045351
Created by admin on Thu Jul 06 20:07:33 UTC 2023 , Edited by admin on Thu Jul 06 20:07:33 UTC 2023
PRIMARY
CAS
86153-38-0
Created by admin on Thu Jul 06 20:07:33 UTC 2023 , Edited by admin on Thu Jul 06 20:07:33 UTC 2023
PRIMARY
FDA UNII
7T4537YE2X
Created by admin on Thu Jul 06 20:07:33 UTC 2023 , Edited by admin on Thu Jul 06 20:07:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE