TPCN02522

Name Erigerol
Molecular Formula C25H40O6
Molecular Weight 436.59
CAS Registry Number 87462-32-6
SMILES CC(C)=CC(=O)OCCC1(C)CCC2(O1)C1(C)OC1C(O)C1C(C)(C)CCC(O)C12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Erigeron annuus Aerial parts 0.000840% Chem Pharm Bull (Tokyo) 51, 545-549 (2003). 10.1248/cpb.51.545
Properties
HBA 6 HBD 2
HeavyAtoms 31 AlogP 3.53
TPSA 88.52 RotatableBonds 4
FractionCSP3 0.88 Rings 4
AromaticRings 0 AliphaticRings 4