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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H22O
Molecular Weight 182.3025
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASSYRANE, (2R,5R)-

SMILES

CCC[C@]1(O[C@H](C)C=C1)C(C)(C)C

InChI

InChIKey=BWJMAXUUBRFWGV-ZYHUDNBSSA-N
InChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3/t10-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H22O
Molecular Weight 182.3025
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 15:20:24 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:24 GMT 2023
Record UNII
PV0Y19V64X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASSYRANE, (2R,5R)-
Common Name English
FURAN, 2-(1,1-DIMETHYLETHYL)-2,5-DIHYDRO-5-METHYL-2-PROPYL-, (2R,5R)-
Systematic Name English
FEMA NO. 4731, (2R,5R)-
Code English
Code System Code Type Description
PUBCHEM
124561929
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY
FDA UNII
PV0Y19V64X
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY
CAS
1313049-88-5
Created by admin on Sat Dec 16 15:20:24 GMT 2023 , Edited by admin on Sat Dec 16 15:20:24 GMT 2023
PRIMARY