U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O2
Molecular Weight 310.3902
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-DEACETYLDIABOLINE

SMILES

[H][C@]12C[C@@]3([H])C4=CCO[C@@H](O)[C@@]3([H])[C@]5([H])NC6=CC=CC=C6[C@]15CC[N@]2C4

InChI

InChIKey=UFUDXCDPABDFHK-SRCYXDNASA-N
InChI=1S/C19H22N2O2/c22-18-16-12-9-15-19(6-7-21(15)10-11(12)5-8-23-18)13-3-1-2-4-14(13)20-17(16)19/h1-5,12,15-18,20,22H,6-10H2/t12-,15-,16+,17-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O2
Molecular Weight 310.3902
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:56:14 GMT 2023
Edited
by admin
on Sat Dec 16 07:56:14 GMT 2023
Record UNII
X3Q09D1K96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-DEACETYLDIABOLINE
Common Name English
WIELAND-GUMLICH ALDEHYDE
MI  
Common Name English
WIELAND-GUMLICH ALDEHYDE [MI]
Common Name English
DESACETYLDIABOLINE
Common Name English
CURAN-17-OL, 19,20-DIDEHYDRO-17,18-EPOXY-, (4S,17R)-
Systematic Name English
CURAN-17-OL, 19,20-DIDEHYDRO-17-18-EPOXY-, (17R)-
Common Name English
WGA
Common Name English
DEACETYLDIABOLINE
Common Name English
CARACURINE VII
Common Name English
Code System Code Type Description
CAS
466-85-3
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY
PUBCHEM
160466
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY
WIKIPEDIA
Wieland-Gumlich aldehyde
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY
CHEBI
141968
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID90963615
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY
FDA UNII
X3Q09D1K96
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY
MERCK INDEX
m11512
Created by admin on Sat Dec 16 07:56:14 GMT 2023 , Edited by admin on Sat Dec 16 07:56:14 GMT 2023
PRIMARY Merck Index
Related Record Type Details
SALT/SOLVATE -> PARENT