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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H37NO4
Molecular Weight 487.6298
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-PET

SMILES

[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@@]56C[C@]([H])([C@](C)(O)CCC7=CC=CC=C7)[C@]2(OC)C=C6

InChI

InChIKey=FAIFRACTBXWXGY-JTTXIWGLSA-N
InChI=1S/C31H37NO4/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30/h5-11,14-15,23-24,27,33H,12-13,16-19H2,1-4H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H37NO4
Molecular Weight 487.6298
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
EA1GYF2V3I
Record Status Validated (UNII)
Record Version