U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O4
Molecular Weight 254.3221
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (1S,5S,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

SMILES

[H][C@]12CC(=C[C@H](OC(CC)CC)[C@@]1([H])O2)C(=O)OCC

InChI

InChIKey=XZXCGRFGEVXWIT-RWMBFGLXSA-N
InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12-,13+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl (1S,5S,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
Systematic Name English
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester, (1S,5S,6S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9834875
Created by admin on Sat Dec 16 20:09:25 GMT 2023 , Edited by admin on Sat Dec 16 20:09:25 GMT 2023
PRIMARY
CAS
2413185-88-1
Created by admin on Sat Dec 16 20:09:25 GMT 2023 , Edited by admin on Sat Dec 16 20:09:25 GMT 2023
PRIMARY
FDA UNII
834GN7C427
Created by admin on Sat Dec 16 20:09:25 GMT 2023 , Edited by admin on Sat Dec 16 20:09:25 GMT 2023
PRIMARY