TPCN05618

Name Sorghumol 3-O-Z-p-coumarate;Isoarborinol
Molecular Formula C30H50O
Molecular Weight 426.73
CAS Registry Number 5532-41-2
SMILES CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Glyptopetalum sclerocarpum Barks 0.012857% Chem Pharm Bull (Tokyo). 2000 Sep;48(9):1347-9. 10.1248/cpb.48.1347.
Arecaceae Acrocomia totai Leaves 0.002073% Nat Prod Res. 2019 Nov 27:1-10. 10.1080/14786419.2019.1696331.
Orchidaceae Anoectochilus roxburghii Whole plants 0.000072% Phytochem Anal. 2008. 19, 438-443. 10.1002/pca.1070.
Properties
HBA 1 HBD 1
HeavyAtoms 31 AlogP 8.02
TPSA 20.23 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5