Base information

Cat. No.
CAS No.15228-71-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C46H58N4O9
Molecular Weight 810.974
Exact Mass 810.42
XLogP3 3.7876
Mr 232.486
PSA 154.1
Sequence -
Atom number 117
Bond number 125
Ring number 9
Rotor number 10
Residues number 0
Canonical smiles CC[C@H]1CN2CCc3c([C@@](C[C@H](C1O)C2)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]42CCN2[C@H]4[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C)[nH]c1c3cccc1

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