TPCN04026

Name Longipedlactones J
Molecular Formula C32H40O7
Molecular Weight 536.67
CAS Registry Number 1011762-93-8
SMILES C=C1C(C(C)C2CC=C(C)C(=O)O2)=CCC2(C)C1CC1(O)C=C3C=CC(=O)OC(C)(C)C3C(OC(C)=O)CC12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Aronia melanocarpa Seedling 0.000133% J Asian Nat Prod Res, 2007, 9, 365-372. 10.1080/10286020600727806
Properties
HBA 7 HBD 1
HeavyAtoms 39 AlogP 4.91
TPSA 99.13 RotatableBonds 3
FractionCSP3 0.59 Rings 5
AromaticRings 0 AliphaticRings 5