3-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-methoxybenzoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23BO5
Molecular Weight	330.183
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-methoxybenzoic acid

Structure Search

SMILES

[H][C@@]12C[C@@H]3C[C@@H](C3(C)C)[C@]1(C)OB(O2)C4=CC=CC(C(O)=O)=C4OC

InChI

InChIKey=FKIKOMSSIGWQQZ-UZXXROKESA-N

InChI=1S/C18H23BO5/c1-17(2)10-8-13(17)18(3)14(9-10)23-19(24-18)12-7-5-6-11(16(20)21)15(12)22-4/h5-7,10,13-14H,8-9H2,1-4H3,(H,20,21)/t10-,13-,14+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H23BO5
Molecular Weight	330.183
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 20:08:47 GMT 2023` Edited by `admin` on `Sat Dec 16 20:08:47 GMT 2023`
Record UNII	5Y7QX37X9D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-methoxybenzoic acid

Systematic Name

English

Benzoic acid, 3-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-methoxy-

Systematic Name

English

Code System Code Type Description

CAS

1155425-58-3

Created by admin on Sat Dec 16 20:08:47 GMT 2023 , Edited by admin on Sat Dec 16 20:08:47 GMT 2023

PRIMARY

FDA UNII

5Y7QX37X9D

Created by admin on Sat Dec 16 20:08:47 GMT 2023 , Edited by admin on Sat Dec 16 20:08:47 GMT 2023

PRIMARY

PUBCHEM

163240902

Created by admin on Sat Dec 16 20:08:47 GMT 2023 , Edited by admin on Sat Dec 16 20:08:47 GMT 2023

PRIMARY