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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H24BNO2
Molecular Weight 249.157
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PINANEDIOL PYRROLIDIN-2-YLBORONATE, (+)-

SMILES

[H][C@@]12C[C@@H]3C[C@@H](C3(C)C)[C@]1(C)OB(O2)[C@@H]4CCCN4

InChI

InChIKey=QWXSWNPNLGZAGQ-HNRZYHPDSA-N
InChI=1S/C14H24BNO2/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12/h9-12,16H,4-8H2,1-3H3/t9-,10-,11+,12-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H24BNO2
Molecular Weight 249.157
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:20:19 GMT 2023
Edited
by admin
on Sat Dec 16 14:20:19 GMT 2023
Record UNII
UX8XOB7FWD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PINANEDIOL PYRROLIDIN-2-YLBORONATE, (+)-
Common Name English
(2R)-2-((3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL)PYRROLIDINE
Systematic Name English
PYRROLIDINE, 2-((3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL)-, (2R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10422155
Created by admin on Sat Dec 16 14:20:19 GMT 2023 , Edited by admin on Sat Dec 16 14:20:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID30439667
Created by admin on Sat Dec 16 14:20:19 GMT 2023 , Edited by admin on Sat Dec 16 14:20:19 GMT 2023
PRIMARY
CAS
684208-20-6
Created by admin on Sat Dec 16 14:20:19 GMT 2023 , Edited by admin on Sat Dec 16 14:20:19 GMT 2023
PRIMARY
FDA UNII
UX8XOB7FWD
Created by admin on Sat Dec 16 14:20:19 GMT 2023 , Edited by admin on Sat Dec 16 14:20:19 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT