TPCN02680

Name 15??-acetoxymulin-11,13-dien-20-oic acid
Molecular Formula C22H32O4
Molecular Weight 360.49
CAS Registry Number 1620408-66-3
SMILES CC(=O)OC1C=C(C)C=CC2C3CCC(C(C)C)C3(C(=O)O)CCC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Azorella trifurcata Aerial parts 0.000400% Org Biomol Chem 12, 6406-6413 (2014). 10.1039/c4ob00966e
Properties
HBA 4 HBD 1
HeavyAtoms 26 AlogP 4.60
TPSA 63.60 RotatableBonds 3
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3