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

Details

Stereochemistry ACHIRAL
Molecular Formula C36H22O18
Molecular Weight 742.5491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6-BIECKOL

SMILES

OC1=CC(OC2=C(O)C=C(O)C3=C2OC4=C(O)C=C(O)C(=C4O3)C5=C6OC7=C(OC6=C(O)C=C5O)C(OC8=CC(O)=CC(O)=C8)=C(O)C=C7O)=CC(O)=C1

InChI

InChIKey=HBJNTPFHQKXWOY-UHFFFAOYSA-N
InChI=1S/C36H22O18/c37-11-1-12(38)4-15(3-11)49-29-21(45)9-23(47)31-35(29)53-27-19(43)7-17(41)25(33(27)51-31)26-18(42)8-20(44)28-34(26)52-32-24(48)10-22(46)30(36(32)54-28)50-16-5-13(39)2-14(40)6-16/h1-10,37-48H

HIDE SMILES / InChI

Molecular Formula C36H22O18
Molecular Weight 742.5491
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
87U82W6IFI
Record Status Validated (UNII)
Record Version