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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O4
Molecular Weight 322.3545
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHASEOLIN

SMILES

[H][C@@]12COC3=CC(O)=CC=C3[C@]1([H])OC4=C2C=CC5=C4C=CC(C)(C)O5

InChI

InChIKey=LWTDZKXXJRRKDG-KXBFYZLASA-N
InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18O4
Molecular Weight 322.3545
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
8OHL7771FZ
Record Status Validated (UNII)
Record Version