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Details

Stereochemistry ACHIRAL
Molecular Formula C16H28O2
Molecular Weight 252.3923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMBRETTOLIDE, (E)-

SMILES

O=C1CCCCCCC\C=C\CCCCCCO1

InChI

InChIKey=QILMAYXCYBTEDM-HNQUOIGGSA-N
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1+

HIDE SMILES / InChI

Molecular Formula C16H28O2
Molecular Weight 252.3923
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:53:22 GMT 2025
Edited
by admin
on Mon Mar 31 20:53:22 GMT 2025
Record UNII
K3X72T3M7I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4145, E-
Preferred Name English
ISOAMBRETTOLIDE, (E)-
Common Name English
OXACYCLOHEPTADEC-10-EN-2-ONE, (E)-
Systematic Name English
OXACYCLOHEPTADEC-10-EN-2-ONE, (10E)-
Systematic Name English
9E-ISOAMBRETTOLIDE
Common Name English
TRANS-ISOAMBRETTOLIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201021122
Created by admin on Mon Mar 31 20:53:22 GMT 2025 , Edited by admin on Mon Mar 31 20:53:22 GMT 2025
PRIMARY
PUBCHEM
11851224
Created by admin on Mon Mar 31 20:53:22 GMT 2025 , Edited by admin on Mon Mar 31 20:53:22 GMT 2025
PRIMARY
CAS
63286-42-0
Created by admin on Mon Mar 31 20:53:22 GMT 2025 , Edited by admin on Mon Mar 31 20:53:22 GMT 2025
PRIMARY
FDA UNII
K3X72T3M7I
Created by admin on Mon Mar 31 20:53:22 GMT 2025 , Edited by admin on Mon Mar 31 20:53:22 GMT 2025
PRIMARY