TPCN05066

Name 3-??-hydroxy-fern-7-en-6-one acetate (1)
Molecular Formula C32H50O3
Molecular Weight 482.75
CAS Registry Number 1401086-75-6
SMILES CC(=O)OC1CCC2(C)C3CCC4(C)C5CCC(C(C)C)C5(C)CCC4(C)C3=CC(=O)C2C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Scorzonera latifolia Leaves 0.000714% Nat Prod Res 26, 1892-1897 (2012) 10.1080/14786419.2011.625644
Properties
HBA 3 HBD 0
HeavyAtoms 35 AlogP 7.77
TPSA 43.37 RotatableBonds 2
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5