TPCN05518

Name Dammar-20S, 25S-epoxy-3b, 12b, 26-triol
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 164178-29-4
SMILES CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Panax quinquefolium Aerial parts 0.000320% Nat Prod Res. 2016. 30, 13-19. 10.1080/14786419.2015.1030403
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.69
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10