Structure

InChI Key FYEOMZSZJFOTGQ-AIWAWJDXNA-N
Smiles C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(C[C@]34C)=C/O)[C@@H]1CC[C@@]2(O)C#C
InChI
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/s2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O3
Molecular Weight 340.2
AlogP 3.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 57.53
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 2787-02-2
NORMAN SUSDAT
PubChem 3034680
ChemSpider 2299104.0