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Details

Stereochemistry RACEMIC
Molecular Formula C13H24O2
Molecular Weight 212.3285
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXYDIHYDROTHEASPIRANE, (2R,5S,6S)-

SMILES

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

InChI

InChIKey=LJOISVFAMDWVFA-WXHSDQCUSA-N
InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3/t10-,12+,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H24O2
Molecular Weight 212.3285
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:38:16 GMT 2023
Edited
by admin
on Fri Dec 15 17:38:16 GMT 2023
Record UNII
7J27MR4WQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYDIHYDROTHEASPIRANE, (2R,5S,6S)-
Common Name English
1-OXASPIRO(4.5)DECAN-6-OL, 2,6,10,10-TETRAMETHYL-, (2.ALPHA.,5.ALPHA.(S*))-
Common Name English
FEMA NO. 3549, (2R,5S,6S)-
Code English
(2.ALPHA.,5.ALPHA.(R*))-2,6,10,10-TETRAMETHYL-1-OXASPIRO(4.5)DECAN-6-OL
Common Name English
1-OXASPIRO(4.5)DECAN-6-OL, 2,6,10,10-TETRAMETHYL-, (2R,5S,6S)-REL-
Common Name English
Code System Code Type Description
FDA UNII
7J27MR4WQ2
Created by admin on Fri Dec 15 17:38:16 GMT 2023 , Edited by admin on Fri Dec 15 17:38:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-044-6
Created by admin on Fri Dec 15 17:38:16 GMT 2023 , Edited by admin on Fri Dec 15 17:38:16 GMT 2023
PRIMARY
CAS
57967-68-7
Created by admin on Fri Dec 15 17:38:16 GMT 2023 , Edited by admin on Fri Dec 15 17:38:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID6052241
Created by admin on Fri Dec 15 17:38:16 GMT 2023 , Edited by admin on Fri Dec 15 17:38:16 GMT 2023
PRIMARY
PUBCHEM
23624156
Created by admin on Fri Dec 15 17:38:16 GMT 2023 , Edited by admin on Fri Dec 15 17:38:16 GMT 2023
PRIMARY