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Details

Stereochemistry RACEMIC
Molecular Formula C18H27NO3
Molecular Weight 305.4119
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AURANTIOL

SMILES

COC(=O)C1=C(C=CC=C1)\N=C\CC(C)CCCC(C)(C)O

InChI

InChIKey=BFBPISPWJZMWJN-CPNJWEJPSA-N
InChI=1S/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3/b19-13+

HIDE SMILES / InChI

Molecular Formula C18H27NO3
Molecular Weight 305.4119
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:54 GMT 2023
Record UNII
495739WRQE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AURANTIOL
Common Name English
AURANTIOL, (±)-
Common Name English
AURANTION
Common Name English
ANTHRANILIC ACID, N-(7-HYDROXY-3,7-DIMETHYLOCTYLIDENE)-, METHYL ESTER
Systematic Name English
HYDROXYCITRONELLYLIDENE METHYL ANTHRANILATE
Systematic Name English
AURANTINE
Common Name English
BENZOIC ACID, 2-((7-HYDROXY-3,7-DIMETHYLOCTYLIDENE)AMINO)-, METHYL ESTER
Systematic Name English
AURANTIUM
Common Name English
HYDROXYCITRONELLAL METHYL ANTHRANILATE
Systematic Name English
BENZOIC ACID, 2-((E)-(7-HYDROXY-3,7-DIMETHYLOCTYLIDENE)AMINO)-, METHYL ESTER
Systematic Name English
NSC-78483
Code English
Code System Code Type Description
PUBCHEM
98118
Created by admin on Sat Dec 16 08:43:54 GMT 2023 , Edited by admin on Sat Dec 16 08:43:54 GMT 2023
PRIMARY
FDA UNII
495739WRQE
Created by admin on Sat Dec 16 08:43:54 GMT 2023 , Edited by admin on Sat Dec 16 08:43:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-908-1
Created by admin on Sat Dec 16 08:43:54 GMT 2023 , Edited by admin on Sat Dec 16 08:43:54 GMT 2023
PRIMARY
CAS
89-43-0
Created by admin on Sat Dec 16 08:43:54 GMT 2023 , Edited by admin on Sat Dec 16 08:43:54 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
663958-46-1
Created by admin on Sat Dec 16 08:43:54 GMT 2023 , Edited by admin on Sat Dec 16 08:43:54 GMT 2023
PRIMARY
NSC
78483
Created by admin on Sat Dec 16 08:43:54 GMT 2023 , Edited by admin on Sat Dec 16 08:43:54 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE