TPCN03794

Name Rotungenic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 121467-43-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura ananosma Stems 0.000650% J Nat Prod, 2010, 73, 12-16. 10.1021/np900506g
Staphyleaceae Euscaphis japonica Stems 0.000071% J Nat Prod 73, 1655-1658 (2010) 10.1021/np1003593
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.18
TPSA 97.99 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5