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

Details

Stereochemistry UNKNOWN
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COMMIFERIN

SMILES

CC1=C2CC3C(=C)CC(O)C[C@]3(C)CC2OC1=O

InChI

InChIKey=VPOHGVWBUPKXAL-BHBYKZDGSA-N
InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10,12-13,16H,1,4-7H2,2-3H3/t10?,12?,13?,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20O3
Molecular Weight 248.3175
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:35 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:35 GMT 2023
Record UNII
41PQ3F05Y5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COMMIFERIN
Common Name English
NAPHTHO(2,3-B)FURAN-2(4H)-ONE, 4A,5,6,7,8,8A,9,9A-OCTAHYDRO-7-HYDROXY-3,8A-DIMETHYL-5-METHYLENE-
Systematic Name English
Code System Code Type Description
FDA UNII
41PQ3F05Y5
Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023
PRIMARY
CAS
39007-92-6
Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023
PRIMARY
PUBCHEM
91864439
Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023
PRIMARY