Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key SXDJNTFEKRMWCP-XEXLYTDQSA-N
Smiles O=C1C=CC2(C(=C1)CCC3C4CCC(=CCOC(=O)C)C4(C)CC(O)C32)C
InChI
InChI=1/C23H30O4/c1-14(24)27-11-9-15-5-7-19-18-6-4-16-12-17(25)8-10-22(16,2)21(18)20(26)13-23(15,19)3/h8-10,12,18-21,26H,4-7,11,13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O4
Molecular Weight 370.21
AlogP 3.75
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.6
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 28449-43-6
NORMAN SUSDAT
PubChem 20839067