TPCN06374

Name Mallomacrostin A
Molecular Formula C27H44O3
Molecular Weight 416.65
CAS Registry Number 2513324-47-3
SMILES CC1(CCC(=O)O)CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC2(C)C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Mallotus macrostachyus Aerial parts 0.000046% None 10.1016/j.fitote.2020.104498
Properties
HBA 3 HBD 2
HeavyAtoms 30 AlogP 6.60
TPSA 57.53 RotatableBonds 3
FractionCSP3 0.89 Rings 4
AromaticRings 0 AliphaticRings 4