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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31BO5
Molecular Weight	386.29
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]-2-methoxybenzoate

Structure Search

SMILES

COC1=C(C=CC=C1C(=O)OC(C)(C)C)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2

InChI

InChIKey=OQEIPAGWKBFUMT-PLKWALTGSA-N

InChI=1S/C22H31BO5/c1-20(2,3)26-19(24)14-9-8-10-15(18(14)25-7)23-27-17-12-13-11-16(21(13,4)5)22(17,6)28-23/h8-10,13,16-17H,11-12H2,1-7H3/t13-,16-,17+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H31BO5
Molecular Weight	386.29
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 `Wed Apr 02 18:29:25 GMT 2025` Edited by `admin` on `Wed Apr 02 18:29:25 GMT 2025`
Record UNII	V65QDE4KEP
Record Status	`Validated (UNII)`
Record Version

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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]-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]-2-methoxy-, 1,1-dimethylethyl ester

Preferred Name

English

Code System Code Type Description

FDA UNII

V65QDE4KEP

Created by admin on Wed Apr 02 18:29:25 GMT 2025 , Edited by admin on Wed Apr 02 18:29:25 GMT 2025

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PUBCHEM

142284190

Created by admin on Wed Apr 02 18:29:25 GMT 2025 , Edited by admin on Wed Apr 02 18:29:25 GMT 2025

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CAS

1155425-67-4

Created by admin on Wed Apr 02 18:29:25 GMT 2025 , Edited by admin on Wed Apr 02 18:29:25 GMT 2025

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