TPCN04407

Name 2??,3??,19??-Trihydroxy-12-oleanen-28-oic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 308101-62-4
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Eriobotrya deflexa Leaves 0.000800% J Nat Prod 64(7): 865-869. 10.1021/np0100237
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.18
TPSA 97.99 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5