TPCN03848

Name 2??,3??,11??,23-Tetrahydroxyurs-12-en-28-oic acid
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 1268696-96-3
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CC(O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Symplocaceae Symplocos lancifolia Leaves 0.000483% J Nat Prod, 2011, 74, 163-171. 10.1021/np100502y
Symplocaceae Symplocos lancifolia Leaves 0.000483% J Nat Prod, 2011, 74, 163-171. 10.1021/np100502y
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.00
TPSA 118.22 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5