TPCN05758

Name Cimicifoetisides B
Molecular Formula C39H60O11
Molecular Weight 704.90
CAS Registry Number 873837-28-6
SMILES CC(=O)OC1C(OC2CCC34CC35CCC3(C)C6C(C)CC7OC6(OC7C(C)(C)OC(C)=O)C(O)C3(C)C5CCC4C2(C)C)OCC(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000821% Beilstein J Org Chem. 2007 Jan 31;3:3. 10.1186/1860-5397-3-3.
Properties
HBA 11 HBD 3
HeavyAtoms 50 AlogP 4.26
TPSA 150.21 RotatableBonds 5
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8