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

Structure

InChI Key JBCDJAULWLARPB-YQXKYMSPSA-N
Smiles C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3C[C@H](CC4)C(=C)[C@H]5O)CN=C2
InChI
InChI=1S/C20H29NO/c1-13-14-4-8-19(17(13)22)9-5-15-18(2)6-3-7-20(15,12-21-11-18)16(19)10-14/h11,14-17,22H,1,3-10,12H2,2H3/t14-,15+,16+,17+,18-,19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29NO
Molecular Weight 299.22
AlogP 3.99
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 22.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 10542184
ChemSpider 10242728.0