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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19NO4
Molecular Weight 325.3585
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOMESTICINE, (-)-

SMILES

COC1=CC2=C3[C@@H](CC4=C(C=C5OCOC5=C4)C3=C1O)N(C)CC2

InChI

InChIKey=ZMNSHBTYBQNBPV-CYBMUJFWSA-N
InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H19NO4
Molecular Weight 325.3585
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
C6Z5L3CM5D
Record Status Validated (UNII)
Record Version