TPCN02756

Name 7??-Acetoxy-9-epi-13??-hydroxymulinane
Molecular Formula C22H36O3
Molecular Weight 348.53
CAS Registry Number 1620408-64-1
SMILES CC(=O)OC1CC2(C)C(C(C)C)CCC2C2C=CC(C)(O)CCC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Azorella trifurcata Aerial parts 0.000300% Org Biomol Chem 12, 6406-6413 (2014). 10.1039/c4ob00966e
Properties
HBA 3 HBD 1
HeavyAtoms 25 AlogP 4.73
TPSA 46.53 RotatableBonds 2
FractionCSP3 0.86 Rings 3
AromaticRings 0 AliphaticRings 3