TPCN05869

Name 24,25,26,30-Tetranoroleana-1(10),5,7-triene-2,21-dione, 3-hydroxy-3,4-[[(9??,13??,14??,20??,22??)-22-hydroxy-9,13-dimethyl-6,21-dioxo-24,25,26,30-tetranoroleana-1,3,5(10)-triene-3,2-diyl]bis(oxy)]-9,13-dimethyl-, (3??,4??,9??,13??,14??,20??)- (9CI)
Molecular Formula C56H72O8
Molecular Weight 873.18
CAS Registry Number 758708-93-9
SMILES Cc1c2c(cc3c1C(=O)CC1C3(C)CCC3(C)C4CC(C)C(=O)C(O)C4(C)CCC13C)OC1(O)C(=O)C=C3C(=CC=C4C3(C)CCC3(C)C5CC(C)C(=O)CC5(C)CCC43C)C1(C)O2
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus chuchuhuasca Barks 0.000036% Chem Pharm Bull (Tokyo). 2004 Jun;52(6):739-46. 10.1248/cpb.52.739.
Properties
HBA 8 HBD 2
HeavyAtoms 64 AlogP 10.47
TPSA 127.20 RotatableBonds 0
FractionCSP3 0.71 Rings 11
AromaticRings 1 AliphaticRings 10