TPCN04941

Name Brein
Molecular Formula C30H50O2
Molecular Weight 442.73
CAS Registry Number 465-08-7
SMILES CC1CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Kleinia odora Aerial parts 0.004800% Molecules 18, 9207-9218 (2013). 10.3390/molecules18089207
Properties
HBA 2 HBD 2
HeavyAtoms 32 AlogP 7.00
TPSA 40.46 RotatableBonds 0
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5