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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-2(3H)-BENZOFURANONE, CIS-(+-)-

SMILES

[H][C@@]12OC(=O)C[C@]1(C)CCC(C)=C2

InChI

InChIKey=MTEGPWHCOVGBCW-WPRPVWTQSA-N
InChI=1S/C10H14O2/c1-7-3-4-10(2)6-9(11)12-8(10)5-7/h5,8H,3-4,6H2,1-2H3/t8-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H14O2
Molecular Weight 166.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:01:12 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:12 GMT 2023
Record UNII
UD26V668KE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-2(3H)-BENZOFURANONE, CIS-(+-)-
Common Name English
REL-(3AR,7AR)-3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-2(3H)-BENZOFURANONE
Common Name English
2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-, (3AR,7AR)-REL-
Systematic Name English
2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3A,6-DIMETHYL-, CIS-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
UD26V668KE
Created by admin on Sat Dec 16 12:01:13 GMT 2023 , Edited by admin on Sat Dec 16 12:01:13 GMT 2023
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CAS
33722-72-4
Created by admin on Sat Dec 16 12:01:13 GMT 2023 , Edited by admin on Sat Dec 16 12:01:13 GMT 2023
PRIMARY
PUBCHEM
71361095
Created by admin on Sat Dec 16 12:01:13 GMT 2023 , Edited by admin on Sat Dec 16 12:01:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID20784850
Created by admin on Sat Dec 16 12:01:13 GMT 2023 , Edited by admin on Sat Dec 16 12:01:13 GMT 2023
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