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

Details

Stereochemistry RACEMIC
Molecular Formula C13H20O2
Molecular Weight 208.2967
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,6,7,8,8A-HEXAHYDRO-7-OXO-2,5,5,8A-TETRAMETHYL-5H-1-BENZOPYRAN, TRANS-

SMILES

C[C@@H]1CC=C2C(C)(C)CC(=O)C[C@]2(C)O1

InChI

InChIKey=PYUYJSFTZPYHDW-RNCFNFMXSA-N
InChI=1S/C13H20O2/c1-9-5-6-11-12(2,3)7-10(14)8-13(11,4)15-9/h6,9H,5,7-8H2,1-4H3/t9-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H20O2
Molecular Weight 208.2967
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 14:54:37 GMT 2023
Edited
by admin
on Sat Dec 16 14:54:37 GMT 2023
Record UNII
FUA16G0UPP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6,7,8,8A-HEXAHYDRO-7-OXO-2,5,5,8A-TETRAMETHYL-5H-1-BENZOPYRAN, TRANS-
Systematic Name English
7H-1-BENZOPYRAN-7-ONE, 2,3,5,6,8,8A-HEXAHYDRO-2,5,5,8A-TETRAMETHYL-, TRANS-
Systematic Name English
Code System Code Type Description
CAS
128660-65-1
Created by admin on Sat Dec 16 14:54:37 GMT 2023 , Edited by admin on Sat Dec 16 14:54:37 GMT 2023
PRIMARY
PUBCHEM
101924023
Created by admin on Sat Dec 16 14:54:37 GMT 2023 , Edited by admin on Sat Dec 16 14:54:37 GMT 2023
PRIMARY
FDA UNII
FUA16G0UPP
Created by admin on Sat Dec 16 14:54:37 GMT 2023 , Edited by admin on Sat Dec 16 14:54:37 GMT 2023
PRIMARY