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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34BClO5
Molecular Weight	448.788
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

COC1=C(C[C@@H](Cl)B2O[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=WLZLGMWDBYGQHC-TVDWODSISA-N

InChI=1S/C24H34BClO5/c1-22(2,3)29-21(27)16-10-8-9-14(20(16)28-7)11-19(26)25-30-18-13-15-12-17(23(15,4)5)24(18,6)31-25/h8-10,15,17-19H,11-13H2,1-7H3/t15-,17-,18+,19+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H34BClO5
Molecular Weight	448.788
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 `Wed Apr 02 18:21:54 GMT 2025` Edited by `admin` on `Wed Apr 02 18:21:54 GMT 2025`
Record UNII	EQ79R5Y95S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1613269-49-0

Created by admin on Wed Apr 02 18:21:54 GMT 2025 , Edited by admin on Wed Apr 02 18:21:54 GMT 2025

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PUBCHEM

132586880

Created by admin on Wed Apr 02 18:21:54 GMT 2025 , Edited by admin on Wed Apr 02 18:21:54 GMT 2025

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FDA UNII

EQ79R5Y95S

Created by admin on Wed Apr 02 18:21:54 GMT 2025 , Edited by admin on Wed Apr 02 18:21:54 GMT 2025

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