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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21BO2
Molecular Weight 256.148
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PINANEDIOL PHENYLBORONATE, (+)-

SMILES

CC1(C)[C@H]2C[C@@H]1[C@]3(C)OB(O[C@@H]3C2)C4=CC=CC=C4

InChI

InChIKey=OZQWJKOXOILFRR-ZIEJDFEHSA-N
InChI=1S/C16H21BO2/c1-15(2)11-9-13(15)16(3)14(10-11)18-17(19-16)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13-,14+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H21BO2
Molecular Weight 256.148
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 Tue Apr 01 22:36:59 GMT 2025
Edited
by admin
on Tue Apr 01 22:36:59 GMT 2025
Record UNII
YYV77I5ODT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-2-PHENYL-4,6-METHANO-1,3,2-BENZODIOXABOROLE
Preferred Name English
PINANEDIOL PHENYLBORONATE, (+)-
Common Name English
4,6-METHANO-1,3,2-BENZODIOXABOROLE, HEXAHYDRO-3A,5,5-TRIMETHYL-2-PHENYL-, (3AS,4S,6S,7AR)-
Systematic Name English
4,6-METHANO-1,3,2-BENZODIOXABOROLE, HEXAHYDRO-3A,5,5-TRIMETHYL-2-PHENYL-, (3AS-(3A.ALPHA.,4.BETA.,6.BETA.,7A.ALPHA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
13204728
Created by admin on Tue Apr 01 22:36:59 GMT 2025 , Edited by admin on Tue Apr 01 22:36:59 GMT 2025
PRIMARY
CAS
76110-78-6
Created by admin on Tue Apr 01 22:36:59 GMT 2025 , Edited by admin on Tue Apr 01 22:36:59 GMT 2025
PRIMARY
FDA UNII
YYV77I5ODT
Created by admin on Tue Apr 01 22:36:59 GMT 2025 , Edited by admin on Tue Apr 01 22:36:59 GMT 2025
PRIMARY