TPCN04685

Name 3??,16??-dihydroxy-21??-hydroperoxy-20(30)-taraxastene
Molecular Formula C30H50O4
Molecular Weight 474.73
CAS Registry Number 942418-66-8
SMILES C=C1C(OO)CC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Compositae Arnica montana Flowers 0.000106% Biol Pharm Bull 30(5): 873-879. 10.1248/bpb.30.873
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.46
TPSA 69.92 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5