TPCN05830

Name 1??, 3??, 23-trihydroxyolean-12-en-28-oic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 591241-52-0
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia emodi Roots 0.000143% Nat Prod Res. 2003 Aug;17(4):247-51. 10.1080/1057563021000060103.
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.18
TPSA 97.99 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5