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

[H][C@@]12C[C@@H]3C[C@@H](C3(C)C)[C@]1(C)OB(O2)[C@H](Cl)CC4=CC=CC(C(=O)OC(C)(C)C)=C4OC

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 `Sat Dec 16 20:09:13 GMT 2023` Edited by `admin` on `Sat Dec 16 20:09:13 GMT 2023`
Record UNII	EQ79R5Y95S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

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

Systematic Name

English

Code System Code Type Description

CAS

1613269-49-0

Created by admin on Sat Dec 16 20:09:13 GMT 2023 , Edited by admin on Sat Dec 16 20:09:13 GMT 2023

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PUBCHEM

132586880

Created by admin on Sat Dec 16 20:09:13 GMT 2023 , Edited by admin on Sat Dec 16 20:09:13 GMT 2023

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FDA UNII

EQ79R5Y95S

Created by admin on Sat Dec 16 20:09:13 GMT 2023 , Edited by admin on Sat Dec 16 20:09:13 GMT 2023

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