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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14O2
Molecular Weight 214.2598
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ICHTHYOTHEREOL

SMILES

CC#CC#CC#C\C=C\[C@@H]1OCCC[C@H]1O

InChI

InChIKey=WFJPISZWZQHNLX-GELOPOQCSA-N
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/b11-8+/t13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H14O2
Molecular Weight 214.2598
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:57:19 UTC 2023
Edited
by admin
on Sat Dec 16 18:57:19 UTC 2023
Record UNII
6VLN4U8PSW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ICHTHYOTHEREOL
Common Name English
(-)-Ichthyothereol
Common Name English
2H-PYRAN-3-OL, TETRAHYDRO-2-(1-NONENE-3,5,7-TRIYNYL)-, (E)-TRANS-
Systematic Name English
2H-PYRAN-3-OL, TETRAHYDRO-2-(1-NONENE-3,5,7-TRIYNYL)-, (2S-(2.ALPHA.(E),3.BETA.))-
Systematic Name English
2H-PYRAN-3-OL, TETRAHYDRO-2-(1-NONENE-3,5,7-TRIYNYL)-, (E)-(2S,3R)-
Common Name English
PYRAN-3-OL, 3.BETA.,4,5,6-TETRAHYDRO-2.BETA.-(1-NONENE-3,5,7-TRIYNYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701030306
Created by admin on Sat Dec 16 18:57:19 UTC 2023 , Edited by admin on Sat Dec 16 18:57:19 UTC 2023
PRIMARY
CAS
2294-61-3
Created by admin on Sat Dec 16 18:57:19 UTC 2023 , Edited by admin on Sat Dec 16 18:57:19 UTC 2023
PRIMARY
FDA UNII
6VLN4U8PSW
Created by admin on Sat Dec 16 18:57:19 UTC 2023 , Edited by admin on Sat Dec 16 18:57:19 UTC 2023
PRIMARY
PUBCHEM
6451387
Created by admin on Sat Dec 16 18:57:19 UTC 2023 , Edited by admin on Sat Dec 16 18:57:19 UTC 2023
PRIMARY
WIKIPEDIA
Ichthyothereol
Created by admin on Sat Dec 16 18:57:19 UTC 2023 , Edited by admin on Sat Dec 16 18:57:19 UTC 2023
PRIMARY