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

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

Structure Search

SMILES

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

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

Molecular Formula	C23H33BO5
Molecular Weight	400.316
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 19:59:15 GMT 2023` Edited by `admin` on `Sat Dec 16 19:59:15 GMT 2023`
Record UNII	2FJ865L8YA
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]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

Systematic Name

English

Code System Code Type Description

PUBCHEM

132586879

Created by admin on Sat Dec 16 19:59:16 GMT 2023 , Edited by admin on Sat Dec 16 19:59:16 GMT 2023

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FDA UNII

2FJ865L8YA

Created by admin on Sat Dec 16 19:59:16 GMT 2023 , Edited by admin on Sat Dec 16 19:59:16 GMT 2023

PRIMARY

CAS

1155425-68-5

Created by admin on Sat Dec 16 19:59:16 GMT 2023 , Edited by admin on Sat Dec 16 19:59:16 GMT 2023

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