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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMBROSIN

SMILES

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

InChI

InChIKey=IFXGCKRDLITNAU-JHSUYXJUSA-N
InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H18O3
Molecular Weight 246.3016
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:00:06 GMT 2023
Edited
by admin
on Sat Dec 16 09:00:06 GMT 2023
Record UNII
6XI048644B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMBROSIN
MI  
Common Name English
NSC-85235
Code English
AZULENO(4,5-B)FURAN-2,9-DIONE, 3,3A,4,5,6,6A,9A,9B-OCTAHYDRO-6,9A-DIMETHYL-3-METHYLENE-, (3AS,6S,6AR,9AR,9BR)-
Systematic Name English
AMBROSIN [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m1649
Created by admin on Sat Dec 16 09:00:06 GMT 2023 , Edited by admin on Sat Dec 16 09:00:06 GMT 2023
PRIMARY Merck Index
CAS
509-93-3
Created by admin on Sat Dec 16 09:00:06 GMT 2023 , Edited by admin on Sat Dec 16 09:00:06 GMT 2023
PRIMARY
NSC
85235
Created by admin on Sat Dec 16 09:00:06 GMT 2023 , Edited by admin on Sat Dec 16 09:00:06 GMT 2023
PRIMARY
FDA UNII
6XI048644B
Created by admin on Sat Dec 16 09:00:06 GMT 2023 , Edited by admin on Sat Dec 16 09:00:06 GMT 2023
PRIMARY
PUBCHEM
92119
Created by admin on Sat Dec 16 09:00:06 GMT 2023 , Edited by admin on Sat Dec 16 09:00:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID60877831
Created by admin on Sat Dec 16 09:00:06 GMT 2023 , Edited by admin on Sat Dec 16 09:00:06 GMT 2023
PRIMARY