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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O7
Molecular Weight 390.4269
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHOXY-ISOLARISIRESINOL, (+)-

SMILES

COC1=CC(=CC(OC)=C1O)[C@@H]2[C@@H](CO)[C@H](CO)CC3=CC(OC)=C(O)C=C23

InChI

InChIKey=JUJIQKRWLCSYQD-KPHUOKFYSA-N
InChI=1S/C21H26O7/c1-26-17-5-11-4-13(9-22)15(10-23)20(14(11)8-16(17)24)12-6-18(27-2)21(25)19(7-12)28-3/h5-8,13,15,20,22-25H,4,9-10H2,1-3H3/t13-,15-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26O7
Molecular Weight 390.4269
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M98RLG56HN
Record Status Validated (UNII)
Record Version