TPCN01871

Name Spicatolide C
Molecular Formula C15H20O7
Molecular Weight 312.32
CAS Registry Number 923270-11-5
SMILES CC1(O)CCC(=O)C2(C)CC(O)C3=C(CO)C(=O)OC3(C1)O2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Pseudoelephantopus spicatus Aerial parts 0.000070% Chem Pharm Bull (Tokyo) 54(11): 1599-1601.(2006) 10.1248/cpb.54.1599
Properties
HBA 7 HBD 3
HeavyAtoms 22 AlogP -0.43
TPSA 113.29 RotatableBonds 1
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3