TPCN01223

Name 3-Angeloxycoladin
Molecular Formula C29H36O5
Molecular Weight 464.60
CAS Registry Number 934714-19-9
SMILES C=C1CCC2C(C)(C)C(OC(=O)C(C)=CC)CCC2(C)C1COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula vesceritensis Roots 0.001250% Phytochemistry 68, 680-686(2007) 10.1016/j.phytochem.2006.12.011
Properties
HBA 5 HBD 0
HeavyAtoms 34 AlogP 6.46
TPSA 65.74 RotatableBonds 5
FractionCSP3 0.52 Rings 4
AromaticRings 2 AliphaticRings 2