Base information

Cat. No.
CAS No.15180-00-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C26H36O6
Molecular Weight 444.56
Exact Mass 444.251
XLogP3 3.2987
Mr 121.219
PSA 100.9
Sequence -
Atom number 68
Bond number 71
Ring number 4
Rotor number 7
Residues number 0
Canonical smiles CCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)CO

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