TPCN00088

Name Pure betulinic;Betulinic acid
Molecular Formula C30H48O3
Molecular Weight 456.71
CAS Registry Number 472-15-1
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Eriope blanchetii Aerial parts 0.147059% Molecules. 2012. 17, 12197-12205. 10.3390/molecules171012197.
Fabaceae Piptadeniastrum africanum Barks 0.009765% Brenan. Chem Biodivers. 2017. 19. 10.1002/cbdv.201600215
Rubiaceae Nauclea pobeguinii Barks 0.007361% Z Naturforsch C J Biosci, 2018, 73, 335-349. 10.1515/znc-2017-0127
Cucurbitaceae Zehneria scabra Whole plants 0.002713% Fitoterapia . 2013 Mar;85:176-80 10.1016/j.fitote.2013.01.009
Rhamnaceae Gouania longipetala Aerial parts 0.000343% Nat Prod Res. 2019. 1-12. 10.1080/14786419.2019.1690483.
Lecythidaceae Barringtonia asiatica Barks 0.000169% Nat Prod Res. 2012;26(20):1869-75. 10.1080/14786419.2011.619187.
Ericaceae Rhododendron dauricum Leaves 0.000118% Nat Prod Res: 1-7. 10.1080/14786419.2019.1566822
Properties
HBA 3 HBD 2
HeavyAtoms 33 AlogP 7.09
TPSA 57.53 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5