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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33BO5
Molecular Weight 400.316
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl 3-[[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]methyl]-2-methoxybenzoate

SMILES

COC1=C(CB2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)C=CC=C1C(=O)OC(C)(C)C

InChI

InChIKey=PVWXBHZLVHWXJF-LZNNFJEDSA-N
InChI=1S/C23H33BO5/c1-21(2,3)27-20(25)16-10-8-9-14(19(16)26-7)13-24-28-18-12-15-11-17(22(15,4)5)23(18,6)29-24/h8-10,15,17-18H,11-13H2,1-7H3/t15-,17-,18+,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,1-Dimethylethyl 3-[[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]methyl]-2-methoxybenzoate
Systematic Name English
Benzoic acid, 3-[[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]methyl]-2-methoxy-, 1,1-dimethylethyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
132586879
Created by admin on Wed Apr 02 17:57:10 GMT 2025 , Edited by admin on Wed Apr 02 17:57:10 GMT 2025
PRIMARY
FDA UNII
2FJ865L8YA
Created by admin on Wed Apr 02 17:57:10 GMT 2025 , Edited by admin on Wed Apr 02 17:57:10 GMT 2025
PRIMARY
CAS
1155425-68-5
Created by admin on Wed Apr 02 17:57:10 GMT 2025 , Edited by admin on Wed Apr 02 17:57:10 GMT 2025
PRIMARY