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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O4
Molecular Weight 264.3169
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANACETIN

SMILES

[H][C@@]12CC[C@@]3(C)[C@H](O)CCC(=C)[C@]3(O)[C@@]1([H])OC(=O)C2=C

InChI

InChIKey=CFUWPZZLCJXNSQ-XXUMUBMXSA-N
InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20O4
Molecular Weight 264.3169
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 Sat Dec 16 10:05:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:28 GMT 2023
Record UNII
3JZ8COC2DK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TANACETIN
MI  
Common Name English
NAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-6,9A-DIHYDROXY-5A-METHYL-3,9-BIS(METHYLENE)-, (3AS-(3A.ALPHA.,5A.BETA.,6.BETA.,9A.ALPHA.,9B.BETA.))-
Systematic Name English
TANACETIN [MI]
Common Name English
NAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-6,9A-DIHYDROXY-5A-METHYL-3,9-BIS(METHYLENE)-, (3AS,5AS,6R,9AR,9BS)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201112028
Created by admin on Sat Dec 16 10:05:28 GMT 2023 , Edited by admin on Sat Dec 16 10:05:28 GMT 2023
PRIMARY
CAS
50301-90-1
Created by admin on Sat Dec 16 10:05:28 GMT 2023 , Edited by admin on Sat Dec 16 10:05:28 GMT 2023
SUPERSEDED
PUBCHEM
20055042
Created by admin on Sat Dec 16 10:05:28 GMT 2023 , Edited by admin on Sat Dec 16 10:05:28 GMT 2023
PRIMARY
CAS
1401-54-3
Created by admin on Sat Dec 16 10:05:28 GMT 2023 , Edited by admin on Sat Dec 16 10:05:28 GMT 2023
PRIMARY
MERCK INDEX
m10452
Created by admin on Sat Dec 16 10:05:28 GMT 2023 , Edited by admin on Sat Dec 16 10:05:28 GMT 2023
PRIMARY Merck Index
FDA UNII
3JZ8COC2DK
Created by admin on Sat Dec 16 10:05:28 GMT 2023 , Edited by admin on Sat Dec 16 10:05:28 GMT 2023
PRIMARY