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Details

Stereochemistry RACEMIC
Molecular Formula C14H12O3
Molecular Weight 228.2433
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1a,2,3,9c-Tetrahydrophenanthro[3,4-b]oxirene-2,3-diol, (1aR,2R,3S,9cS)-rel-

SMILES

O[C@H]1[C@H]2O[C@H]2C3=C4C=CC=CC4=CC=C3[C@@H]1O

InChI

InChIKey=YMUIEZKBBVSZNE-RFQIPJPRSA-N
InChI=1S/C14H12O3/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)13-14(17-13)12(11)16/h1-6,11-16H/t11-,12+,13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H12O3
Molecular Weight 228.2433
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 Mon Mar 31 21:50:19 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:19 GMT 2025
Record UNII
W7X832Y46L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,9c-tetrahydro-, (1aR,2R,3S,9cS)-rel-
Preferred Name English
1a,2,3,9c-Tetrahydrophenanthro[3,4-b]oxirene-2,3-diol, (1aR,2R,3S,9cS)-rel-
Systematic Name English
rel-(1aR,2R,3S,9cS)-1a,2,3,9c-Tetrahydrophenanthro[3,4-b]oxirene-2,3-diol
Systematic Name English
Phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,9c-tetrahydro-, (1a?,2?,3?,9c?)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201031816
Created by admin on Mon Mar 31 21:50:19 GMT 2025 , Edited by admin on Mon Mar 31 21:50:19 GMT 2025
PRIMARY
CAS
67737-62-6
Created by admin on Mon Mar 31 21:50:19 GMT 2025 , Edited by admin on Mon Mar 31 21:50:19 GMT 2025
PRIMARY
FDA UNII
W7X832Y46L
Created by admin on Mon Mar 31 21:50:19 GMT 2025 , Edited by admin on Mon Mar 31 21:50:19 GMT 2025
PRIMARY
PUBCHEM
15928856
Created by admin on Mon Mar 31 21:50:19 GMT 2025 , Edited by admin on Mon Mar 31 21:50:19 GMT 2025
PRIMARY