TPCN02187

Name 15,16-epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid
Molecular Formula C27H32O5
Molecular Weight 436.55
CAS Registry Number 1282509-80-1
SMILES CC1CCC2(C)C(C(=O)O)=CC(OC(=O)c3ccccc3)CC2C1(C)CCc1ccoc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Dodonaea polyandra Leaves 0.008800% J Nat Prod 74, 650-657 (2011). 10.1021/np100701s
Properties
HBA 5 HBD 1
HeavyAtoms 32 AlogP 5.91
TPSA 76.74 RotatableBonds 6
FractionCSP3 0.48 Rings 4
AromaticRings 2 AliphaticRings 2