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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28O4
Molecular Weight 392.4874
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6a,11a-Dihydro-2,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, (6aR,11aR)-

SMILES

CC(C)=CCC1=C(O)C=C2OC[C@@H]3[C@@H](OC4=C3C=CC(O)=C4CC=C(C)C)C2=C1

InChI

InChIKey=LDKAMVCGTURXMH-CPJSRVTESA-N
InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28O4
Molecular Weight 392.4874
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:53:00 GMT 2025
Edited
by admin
on Wed Apr 02 19:53:00 GMT 2025
Record UNII
JLW4FP5CVK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6a,11a-Dihydro-2,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, (6aR,11aR)-
Systematic Name English
(6aR,11aR)-2,10-Bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,9-diol
Preferred Name English
(6aR,11aR)-6a,11a-Dihydro-2,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol
Systematic Name English
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2,10-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10408212
Created by admin on Wed Apr 02 19:53:00 GMT 2025 , Edited by admin on Wed Apr 02 19:53:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID901114344
Created by admin on Wed Apr 02 19:53:00 GMT 2025 , Edited by admin on Wed Apr 02 19:53:00 GMT 2025
PRIMARY
CAS
77263-06-0
Created by admin on Wed Apr 02 19:53:00 GMT 2025 , Edited by admin on Wed Apr 02 19:53:00 GMT 2025
PRIMARY
FDA UNII
JLW4FP5CVK
Created by admin on Wed Apr 02 19:53:00 GMT 2025 , Edited by admin on Wed Apr 02 19:53:00 GMT 2025
PRIMARY