TPCN05832

Name Xuxuarine Fa
Molecular Formula C58H74O8
Molecular Weight 899.22
CAS Registry Number 758708-86-0
SMILES COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC(=O)c5c(cc6c(c5C)OC5(C)C7=CC=C8C(C)(CCC9(C)C%10CC(C)C(=O)CC%10(C)CCC89C)C7=CC(=O)C5(O)O6)C4(C)CCC3(C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus chuchuhuasca Barks 0.000130% Chem Pharm Bull (Tokyo). 2004 Jun;52(6):739-46. 10.1248/cpb.52.739.
Properties
HBA 8 HBD 1
HeavyAtoms 66 AlogP 11.78
TPSA 116.20 RotatableBonds 1
FractionCSP3 0.69 Rings 11
AromaticRings 1 AliphaticRings 10