TPCN02853

Name 15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid
Molecular Formula C27H30O6
Molecular Weight 450.53
CAS Registry Number 1282509-79-8
SMILES CC12CCC(COC(=O)c3ccccc3)C(C)(CCc3ccoc3)C1CC(=O)C=C2C(=O)O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Dodonaea polyandra Leaves 0.000200% J Nat Prod 74, 650-657 (2011). 10.1021/np100701s
Properties
HBA 6 HBD 1
HeavyAtoms 33 AlogP 5.09
TPSA 93.81 RotatableBonds 7
FractionCSP3 0.44 Rings 4
AromaticRings 2 AliphaticRings 2