Base information

Cat. No.
CAS No.1002347-71-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C25H32D6O5
Molecular Weight 424.603
Exact Mass 424.31
XLogP3 4.5856
Mr 118.471
PSA 72.83
Sequence -
Atom number 68
Bond number 70
Ring number 3
Rotor number 7
Residues number 0
Canonical smiles CCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C

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