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Details

Stereochemistry MIXED
Molecular Formula C28H32N2O2
Molecular Weight 428.5659
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BU-72

SMILES

CO[C@]12C=CC34CC1(C)[C@H](N[C@H]2[C@@]35CCN(C)[C@@H]4CC6=CC=C(O)C=C56)C7=CC=CC=C7

InChI

InChIKey=RGJHUVJQGAAZLK-DIZBDODISA-N
InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25?,26?,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H32N2O2
Molecular Weight 428.5659
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KVN8RP2FQX
Record Status Validated (UNII)
Record Version