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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O4
Molecular Weight 328.4022
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALLONIGRIN

SMILES

CC1=C(CCC2=COC=C2)[C@@]3(C)CCC[C@@]4(C)[C@@H]3[C@H](OC4=O)C1=O

InChI

InChIKey=FREUGTILYKJVRL-LFGUQSLTSA-N
InChI=1S/C20H24O4/c1-12-14(6-5-13-7-10-23-11-13)19(2)8-4-9-20(3)17(19)16(15(12)21)24-18(20)22/h7,10-11,16-17H,4-6,8-9H2,1-3H3/t16-,17-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O4
Molecular Weight 328.4022
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 Mon Mar 31 23:03:25 GMT 2025
Edited
by admin
on Mon Mar 31 23:03:25 GMT 2025
Record UNII
4MDQ9NY3C2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALLONIGRINE
Preferred Name English
BALLONIGRIN
Common Name English
2H-NAPHTHO(1,8-BC)FURAN-2,8(2AH)-DIONE, 6-(2-(3-FURANYL)ETHYL)-3,4,5,5A,8A,8B-HEXAHYDRO-2A,5A,7-TRIMETHYL-, (2AS,5AS,8AS,8BR)-
Systematic Name English
Code System Code Type Description
FDA UNII
4MDQ9NY3C2
Created by admin on Mon Mar 31 23:03:25 GMT 2025 , Edited by admin on Mon Mar 31 23:03:25 GMT 2025
PRIMARY
PUBCHEM
21596483
Created by admin on Mon Mar 31 23:03:25 GMT 2025 , Edited by admin on Mon Mar 31 23:03:25 GMT 2025
PRIMARY
CAS
62340-62-9
Created by admin on Mon Mar 31 23:03:25 GMT 2025 , Edited by admin on Mon Mar 31 23:03:25 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT