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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O5
Molecular Weight 340.3698
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCHANGELENONE

SMILES

CC(C)=CCOC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(O)C=C3O

InChI

InChIKey=GYSDUVRPSWKYDJ-SFHVURJKSA-N
InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O5
Molecular Weight 340.3698
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
AG84U27TWU
Record Status Validated (UNII)
Record Version