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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEDRENONE

SMILES

[H][C@@]12CC[C@@H](C)[C@]13C[C@@H](C(C)=CC3=O)C2(C)C

InChI

InChIKey=BGDCOEHXBFJKSF-OXJKWZBOSA-N
InChI=1S/C15H22O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h7,10-12H,5-6,8H2,1-4H3/t10-,11+,12+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:01:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:01:20 GMT 2023
Record UNII
T3DLB0924K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEDRENONE
Common Name English
.ALPHA.-CEDREN-10-ONE
Common Name English
CEDR-8-EN-10-ONE
Common Name English
4H-3A,7-METHANOAZULEN-4-ONE, 1,2,3,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-, (3R,3AR,7S,8AS)-
Systematic Name English
4H-3A,7-METHANOAZULEN-4-ONE, 1,2,3,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-, (3R-(3.ALPHA.,3A.BETA.,7.BETA.,8A.ALPHA.))-
Systematic Name English
.ALPHA.-CEDRENONE
Common Name English
(3R,3AR,7S,8AS)-1,2,3,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-4H-3A,7-METHANOAZULEN-4-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60885491
Created by admin on Sat Dec 16 08:01:20 GMT 2023 , Edited by admin on Sat Dec 16 08:01:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-405-3
Created by admin on Sat Dec 16 08:01:20 GMT 2023 , Edited by admin on Sat Dec 16 08:01:20 GMT 2023
PRIMARY
CAS
30960-39-5
Created by admin on Sat Dec 16 08:01:20 GMT 2023 , Edited by admin on Sat Dec 16 08:01:20 GMT 2023
PRIMARY
FDA UNII
T3DLB0924K
Created by admin on Sat Dec 16 08:01:20 GMT 2023 , Edited by admin on Sat Dec 16 08:01:20 GMT 2023
PRIMARY
PUBCHEM
13335685
Created by admin on Sat Dec 16 08:01:20 GMT 2023 , Edited by admin on Sat Dec 16 08:01:20 GMT 2023
PRIMARY