TPCN05854

Name 26-deoxyactein
Molecular Formula C37H56O10
Molecular Weight 660.85
CAS Registry Number 264624-38-6
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000064% Molecules. 2011 Jul 5;16(7):5701-8. 10.3390/molecules16075701.
Properties
HBA 10 HBD 3
HeavyAtoms 47 AlogP 3.71
TPSA 136.44 RotatableBonds 3
FractionCSP3 0.97 Rings 9
AromaticRings 0 AliphaticRings 9