Base information

Cat. No.
CAS No.210108-91-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C37H48O13
Molecular Weight 700.769
Exact Mass 700.309
XLogP3 3.8578
Mr 175.849
PSA 178.03
Sequence -
Atom number 98
Bond number 102
Ring number 5
Rotor number 13
Residues number 0
Canonical smiles CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C[C@]2(O)[C@@H]([C@@]2([C@@]1(C)C[C@@]1([C@H]2C[C@@](C[C@@H]1OC(=O)C)(C)OC(=O)C)OC(=O)C)C)OC(=O)C)C

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