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

Details

Stereochemistry RACEMIC
Molecular Formula C10H16O2
Molecular Weight 168.2328
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINEATIN, (±)-

SMILES

[H][C@]12C[C@]3(C)C[C@H](O1)OC(C)(C)[C@]23[H]

InChI

InChIKey=SHTFZHTWSLHVEB-BDNRQGISSA-N
InChI=1S/C10H16O2/c1-9(2)8-6-4-10(8,3)5-7(11-6)12-9/h6-8H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H16O2
Molecular Weight 168.2328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:24 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:24 GMT 2023
Record UNII
AS3ZP68UEF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINEATIN, (±)-
Common Name English
4,6-DIOXATRICYCLO(3.3.1.02,7)NONANE, 1,3,3-TRIMETHYL-, (1RS,2SR,5RS,7RS)-
Systematic Name English
(1RS,2SR,5RS,7RS)-1,3,3-TRIMETHYL-4,6-DIOXATRICYCLO(3.3.1.02,7)NONANE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Lineatin
Created by admin on Sat Dec 16 10:01:24 GMT 2023 , Edited by admin on Sat Dec 16 10:01:24 GMT 2023
PRIMARY
PUBCHEM
11263727
Created by admin on Sat Dec 16 10:01:24 GMT 2023 , Edited by admin on Sat Dec 16 10:01:24 GMT 2023
PRIMARY
FDA UNII
AS3ZP68UEF
Created by admin on Sat Dec 16 10:01:24 GMT 2023 , Edited by admin on Sat Dec 16 10:01:24 GMT 2023
PRIMARY
CAS
78087-36-2
Created by admin on Sat Dec 16 10:01:24 GMT 2023 , Edited by admin on Sat Dec 16 10:01:24 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE