TPCN04810

Name Betulin;Betulin 1
Molecular Formula C30H50O2
Molecular Weight 442.73
CAS Registry Number 473-98-3
SMILES C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Betulaceae Betula papyrifera Barks 0.900000% . J Org Chem. 2002. 67, 2864-2873. 10.1021/jo010929h.
Betulaceae Betula papyrifera Barks 0.833333% Langmuir 31, 13664-13672 (2015). 10.1021/acs.langmuir.5b03730
Ebenaceae Euclea undulata Barks 0.009307% J Ethnopharmacol. 2011. 133, 1091-1095. 10.1016/j.jep.2010.11.038
Properties
HBA 2 HBD 2
HeavyAtoms 32 AlogP 7.00
TPSA 40.46 RotatableBonds 2
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5