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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO2
Molecular Weight 327.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [NORELGESTROMIN]

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CCC(C=C4CC[C@@]23[H])=NO

InChI

InChIKey=ISHXLNHNDMZNMC-UGCMNZCRSA-N
InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-/t16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H29NO2
Molecular Weight 327.4605
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:57:38 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:38 GMT 2023
Record UNII
R0TAY3X631
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition