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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O4
Molecular Weight 224.253
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VANILLIN 2,3-BUTANEDIOL ACETAL, CIS-

SMILES

COC1=C(O)C=CC(=C1)C2O[C@H](C)[C@H](C)O2

InChI

InChIKey=JZJHVHUFPUYAJF-ITGSWZIZSA-N
InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3/t7-,8+,12?

HIDE SMILES / InChI

Molecular Formula C12H16O4
Molecular Weight 224.253
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:09:42 GMT 2023
Edited
by admin
on Sat Dec 16 00:09:42 GMT 2023
Record UNII
S78Z7NJ6E3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANILLIN 2,3-BUTANEDIOL ACETAL, CIS-
Common Name English
VANILLIN ERYTHRO-BUTAN-2,3-DIOL ACETAL
Common Name English
PHENOL, 4-((4R,5S)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-, REL-
Common Name English
FEMA NO. 4023, (4R,5S)-
Code English
VANILLIN BUTANE-2,3-DIOL ACETAL, CIS-
Common Name English
4-((4S,5R)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-PHENOL
Systematic Name English
VANILLIN BUTAN-2,3-DIOL ACETAL, CIS-
Common Name English
PHENOL, 4-((2.ALPHA.,4.ALPHA.,5.ALPHA.)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-
Common Name English
(±)-4-((4S,5R)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-PHENOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00185568
Created by admin on Sat Dec 16 00:09:42 GMT 2023 , Edited by admin on Sat Dec 16 00:09:42 GMT 2023
PRIMARY
CAS
316811-68-4
Created by admin on Sat Dec 16 00:09:42 GMT 2023 , Edited by admin on Sat Dec 16 00:09:42 GMT 2023
PRIMARY
FDA UNII
S78Z7NJ6E3
Created by admin on Sat Dec 16 00:09:42 GMT 2023 , Edited by admin on Sat Dec 16 00:09:42 GMT 2023
PRIMARY
PUBCHEM
71587693
Created by admin on Sat Dec 16 00:09:42 GMT 2023 , Edited by admin on Sat Dec 16 00:09:42 GMT 2023
PRIMARY
RXCUI
1371314
Created by admin on Sat Dec 16 00:09:42 GMT 2023 , Edited by admin on Sat Dec 16 00:09:42 GMT 2023
PRIMARY RxNorm