TPCN02667

Name Mulin-11,13-dien-18-acetoxy-16,20-dioic acid
Molecular Formula C22H30O6
Molecular Weight 390.48
CAS Registry Number 1601496-69-8
SMILES CC(=O)OCC(C)C1CCC2C3C=CC(C(=O)O)=CCC3(C)CCC12C(=O)O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Azorella trifurcata Aerial parts 0.000420% Org Biomol Chem 12, 6406-6413 (2014). 10.1039/c4ob00966e
Properties
HBA 6 HBD 2
HeavyAtoms 28 AlogP 3.67
TPSA 100.90 RotatableBonds 5
FractionCSP3 0.68 Rings 3
AromaticRings 0 AliphaticRings 3