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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25NO3
Molecular Weight 399.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANSOXETINE, (S)-

SMILES

CN(C)CC[C@H](OC1=CC2=C(OC(=CC2=O)C3=CC=CC=C3)C=C1)C4=CC=CC=C4

InChI

InChIKey=JDQWJVUVMKPZLU-DEOSSOPVSA-N
InChI=1S/C26H25NO3/c1-27(2)16-15-24(19-9-5-3-6-10-19)29-21-13-14-25-22(17-21)23(28)18-26(30-25)20-11-7-4-8-12-20/h3-14,17-18,24H,15-16H2,1-2H3/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H25NO3
Molecular Weight 399.4816
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
04M085503B
Record Status Validated (UNII)
Record Version