Base information

Cat. No.
CAS No.129393-28-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C37H41NO9
Molecular Weight 643.723
Exact Mass 643.278
XLogP3 5.4697
Mr 172.136
PSA 135.16
Sequence -
Atom number 88
Bond number 92
Ring number 5
Rotor number 10
Residues number 0
Canonical smiles CC(=O)O[C@H]1C(=C)[C@H](OC(=O)c2cccnc2)C[C@H]2[C@H](C2(C)C)/C=C(\C(=O)[C@@]2([C@@H]1[C@@H](OC(=O)c1ccccc1)[C@H](C2)C)OC(=O)C)/C

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