TPCN06054

Name Cabraleadiol-3-acetate
Molecular Formula C32H54O4
Molecular Weight 502.78
CAS Registry Number 35833-62-6
SMILES CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Arecaceae Mauritia flexuosa Roots 0.001680% Nat Prod Res . 2013;27(22):2118-25 10.1080/14786419.2013.793685
Properties
HBA 4 HBD 1
HeavyAtoms 36 AlogP 7.31
TPSA 55.76 RotatableBonds 3
FractionCSP3 0.97 Rings 5
AromaticRings 0 AliphaticRings 5