TPCN04575

Name 3??,25-epoxy-3??,22??,23??-trihydroxy-olean-12-en-28-oic
Molecular Formula C30H46O6
Molecular Weight 502.69
CAS Registry Number 1452401-82-9
SMILES CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C56CCC(O)(OC5)C(C)(CO)C6CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Lantana montevidensis Leaves 0.000240% Nat Prod Res 27(21): 2046-2052. 10.1080/14786419.2013.824443
Properties
HBA 6 HBD 4
HeavyAtoms 36 AlogP 4.51
TPSA 107.22 RotatableBonds 2
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7