Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID40188078

Structure

InChI Key NZESEVTYUVXOTC-APDQSUQKSA-N
Smiles C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
InChI
InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24O5
Molecular Weight 332.16
AlogP 2.45
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 69.67
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 34532-68-8
NORMAN SUSDAT
PubChem 182199
ChemSpider 158463.0