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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H34N2O7
Molecular Weight 606.6644
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANCENTRINE

SMILES

COC1=CC=C2C[C@H]3[C@H]4C[C@@]6([C@H]5OC1=C2[C@@]45CCN3C)[N@@]7CCC8=CC=C(OC)C9=C8C7=C(C6=O)C%10=CC=C(OC)C(O)=C%10O9

InChI

InChIKey=XWPPHGONALRWBY-IQXPYEGDSA-N
InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36-/m1/s1

HIDE SMILES / InChI

Approval Year