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Details

Stereochemistry RACEMIC
Molecular Formula C14H15BrO
Molecular Weight 279.172
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-BROMO-1A,1B,2,3,4,5,5A,9B-OCTAHYDRO-PHENANTHRO(9,10-B)OXIRENE, (1A.ALPHA.,1B.BETA.,5A.ALPHA.,9B.ALPHA.)-

SMILES

[H][C@@]12CCCC[C@@]1([H])C3=C(C=C(Br)C=C3)[C@H]4O[C@@H]24

InChI

InChIKey=MIDVMZDXCQOCLI-PCGAWMICSA-N
InChI=1S/C14H15BrO/c15-8-5-6-10-9-3-1-2-4-11(9)13-14(16-13)12(10)7-8/h5-7,9,11,13-14H,1-4H2/t9-,11+,13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H15BrO
Molecular Weight 279.172
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 Sat Dec 16 08:43:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:40 GMT 2023
Record UNII
7KED7TJ359
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-BROMO-1A,1B,2,3,4,5,5A,9B-OCTAHYDRO-PHENANTHRO(9,10-B)OXIRENE, (1A.ALPHA.,1B.BETA.,5A.ALPHA.,9B.ALPHA.)-
Common Name English
PHENANTHRO(9,10-B)OXIRENE, 8-BROMO-1A,1B,2,3,4,5,5A,9B-OCTAHYDRO-, (1A.ALPHA.,1B.BETA.,5A.ALPHA.,9B.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
7KED7TJ359
Created by admin on Sat Dec 16 08:43:40 GMT 2023 , Edited by admin on Sat Dec 16 08:43:40 GMT 2023
PRIMARY
PUBCHEM
14063607
Created by admin on Sat Dec 16 08:43:40 GMT 2023 , Edited by admin on Sat Dec 16 08:43:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID50922662
Created by admin on Sat Dec 16 08:43:40 GMT 2023 , Edited by admin on Sat Dec 16 08:43:40 GMT 2023
PRIMARY
CAS
118326-92-4
Created by admin on Sat Dec 16 08:43:40 GMT 2023 , Edited by admin on Sat Dec 16 08:43:40 GMT 2023
PRIMARY