TPCN02230

Name Helikaurolide D
Molecular Formula C40H52O9
Molecular Weight 676.85
CAS Registry Number 1809532-71-5
SMILES C=C1C(=O)OC2C3OC(C)(C=CC(=O)C3CCC34OC3C35CCC6C(C)(C(=O)O)CCCC6(C)C3CCC4C5)CC(OC(=O)C(C)=CC)C12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Helianthus annuus Leaves 0.005960% Org Lett 17, 4730-4733 (2015). 10.1021/acs.orglett.5b02221
Properties
HBA 9 HBD 1
HeavyAtoms 49 AlogP 6.29
TPSA 128.73 RotatableBonds 6
FractionCSP3 0.75 Rings 8
AromaticRings 0 AliphaticRings 8