1,1-Dimethylethyl 3-[(2R)-2-[bis(trimethylsilyl)amino]-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	C30H52BNO5Si2
Molecular Weight	573.72
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dimethylethyl 3-[(2R)-2-[bis(trimethylsilyl)amino]-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](B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)OC(C)(C)C

InChI

InChIKey=AJPIZQCRQBLANJ-NLZDVDQESA-N

InChI=1S/C30H52BNO5Si2/c1-28(2,3)35-27(33)22-16-14-15-20(26(22)34-7)17-25(32(38(8,9)10)39(11,12)13)31-36-24-19-21-18-23(29(21,4)5)30(24,6)37-31/h14-16,21,23-25H,17-19H2,1-13H3/t21-,23-,24+,25-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H52BNO5Si2
Molecular Weight	573.72
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 17:57:10 GMT 2025` Edited by `admin` on `Wed Apr 02 17:57:10 GMT 2025`
Record UNII	MRY8C4FJ96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl 3-[(2R)-2-[bis(trimethylsilyl)amino]-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-[(2R)-2-[bis(trimethylsilyl)amino]-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

Code System Code Type Description

FDA UNII

MRY8C4FJ96

Created by admin on Wed Apr 02 17:57:10 GMT 2025 , Edited by admin on Wed Apr 02 17:57:10 GMT 2025

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CAS

1256336-53-4

Created by admin on Wed Apr 02 17:57:10 GMT 2025 , Edited by admin on Wed Apr 02 17:57:10 GMT 2025

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PUBCHEM

140778388

Created by admin on Wed Apr 02 17:57:10 GMT 2025 , Edited by admin on Wed Apr 02 17:57:10 GMT 2025

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