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

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

Approval Year

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

Systematic Name

English

Code System Code Type Description

FDA UNII

MRY8C4FJ96

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

1256336-53-4

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

PUBCHEM

140778388

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

SUBSTANCE RECORD


					MRY8C4FJ96

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